K2A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| 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 | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.64Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| S8 | O9 | doub | 1.42Å | 1.43Å | |
| S8 | O10 | doub | 1.42Å | 1.42Å | |
| S8 | N11 | sing | 1.66Å | 1.63Å | |
| N11 | C12 | sing | 1.47Å | 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 | |
| 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 | 1.45Å | |
| C19 | C32 | sing | 1.53Å | 1.53Å | |
| N20 | C21 | sing | 1.35Å | 1.32Å | |
| C21 | O22 | doub | 1.21Å | 1.21Å | |
| C21 | O23 | sing | 1.35Å | 1.43Å | |
| O23 | C24 | sing | 1.45Å | 1.42Å | |
| C24 | C25 | sing | 1.54Å | 1.51Å | |
| C24 | C31 | sing | 1.54Å | 1.50Å | |
| C25 | O26 | sing | 1.43Å | 1.43Å | |
| O26 | C27 | sing | 1.44Å | 1.42Å | |
| C27 | O28 | sing | 1.43Å | 1.42Å | |
| C27 | C31 | sing | 1.56Å | 1.51Å | |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.54Å | 1.52Å | |
| 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 | 1.38Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.37Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | 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 | |
| C14 | H14B | 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 | |
| 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 | 109.4° | 109.4° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H1A | 109.5° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 113.9° |
| C1 | C2 | C3 | 121.2° | 120.0° |
| C1 | C2 | C7 | 119.4° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C3 | C2 | C7 | 119.4° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.1° |
| C2 | C3 | H3 | 119.9° | 120.0° |
| C2 | C7 | C6 | 120.4° | 120.0° |
| C2 | C7 | H7 | 119.8° | 120.1° |
| C3 | C4 | C5 | 120.9° | 120.0° |
| C4 | C3 | H3 | 119.9° | 120.0° |
| C3 | C4 | H4 | 119.6° | 120.0° |
| C4 | C5 | C6 | 118.0° | 120.0° |
| C4 | C5 | S8 | 121.6° | 120.0° |
| C5 | C4 | H4 | 119.6° | 120.0° |
| C6 | C5 | S8 | 120.5° | 120.1° |
| C5 | C6 | C7 | 121.3° | 120.0° |
| C5 | C6 | H6 | 119.4° | 119.9° |
| C5 | S8 | O9 | 109.1° | 106.4° |
| C5 | S8 | O10 | 108.3° | 106.5° |
| C5 | S8 | N11 | 112.9° | 107.2° |
| C7 | C6 | H6 | 119.4° | 120.0° |
| C6 | C7 | H7 | 119.8° | 119.9° |
| O9 | S8 | O10 | 113.8° | 123.2° |
| O9 | S8 | N11 | 103.8° | 106.4° |
| O10 | S8 | N11 | 109.0° | 106.4° |
| S8 | N11 | C12 | 112.1° | 120.0° |
| S8 | N11 | C16 | 114.5° | 120.0° |
| C12 | N11 | C16 | 116.6° | 120.0° |
| N11 | C12 | C13 | 110.9° | 109.5° |
| N11 | C12 | H12 | 109.0° | 109.4° |
| N11 | C12 | H12A | 109.0° | 109.4° |
| N11 | C16 | C17 | 108.0° | 109.5° |
| N11 | C16 | H16 | 109.9° | 109.5° |
| N11 | C16 | H16A | 109.9° | 109.5° |
| C12 | C13 | C14 | 112.6° | 109.5° |
| C12 | C13 | C15 | 109.5° | 109.5° |
| C13 | C12 | H12 | 109.0° | 109.5° |
| C13 | C12 | H12A | 109.0° | 109.5° |
| C12 | C13 | H13 | 108.3° | 109.4° |
| C14 | C13 | C15 | 112.4° | 109.5° |
| C14 | C13 | H13 | 105.2° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.5° | 109.4° |
| C13 | C14 | H14B | 109.5° | 109.5° |
| C13 | C15 | C18 | 112.9° | 109.5° |
| C15 | C13 | H13 | 108.6° | 109.5° |
| C13 | C15 | H15 | 108.3° | 109.5° |
| C13 | C15 | H15A | 108.3° | 109.5° |
| C18 | C15 | H15 | 108.3° | 109.4° |
| C18 | C15 | H15A | 108.3° | 109.4° |
| C15 | C18 | H18 | 109.5° | 109.4° |
| C15 | C18 | H18A | 109.5° | 109.5° |
| C15 | C18 | H18B | 109.5° | 109.4° |
| C16 | C17 | O18 | 109.1° | 109.4° |
| C16 | C17 | C19 | 113.5° | 109.5° |
| C17 | C16 | H16 | 110.0° | 109.4° |
| C17 | C16 | H16A | 109.9° | 109.4° |
| C16 | C17 | H17 | 107.1° | 109.4° |
| O18 | C17 | C19 | 109.7° | 109.5° |
| O18 | C17 | H17 | 111.1° | 109.5° |
| C17 | O18 | HO18 | 109.5° | 114.0° |
| C17 | C19 | N20 | 107.7° | 109.5° |
| C17 | C19 | C32 | 114.3° | 109.5° |
| C19 | C17 | H17 | 106.4° | 109.5° |
| C17 | C19 | H19 | 106.8° | 109.4° |
| N20 | C19 | C32 | 107.6° | 109.5° |
| C19 | N20 | C21 | 124.5° | 120.0° |
| N20 | C19 | H19 | 113.6° | 109.5° |
| C19 | N20 | HN20 | 117.8° | 120.0° |
| C19 | C32 | C38 | 111.0° | 109.4° |
| C32 | C19 | H19 | 107.0° | 109.5° |
| C19 | C32 | H32 | 109.0° | 109.5° |
| C19 | C32 | H32A | 109.0° | 109.5° |
| N20 | C21 | O22 | 128.5° | 120.0° |
| N20 | C21 | O23 | 112.0° | 120.0° |
| C21 | N20 | HN20 | 117.7° | 120.0° |
| O22 | C21 | O23 | 119.5° | 120.0° |
| C21 | O23 | C24 | 117.6° | 117.0° |
| O23 | C24 | C25 | 103.7° | 110.4° |
| O23 | C24 | C31 | 110.7° | 110.4° |
| O23 | C24 | H24 | 110.7° | 110.3° |
| C25 | C24 | C31 | 103.6° | 104.7° |
| C24 | C25 | O26 | 103.5° | 107.4° |
| C25 | C24 | H24 | 117.0° | 110.4° |
| C24 | C25 | H25 | 111.5° | 109.9° |
| C24 | C25 | H25A | 111.5° | 109.8° |
| C24 | C31 | C27 | 104.4° | 102.7° |
| C24 | C31 | C30 | 117.0° | 108.9° |
| C31 | C24 | H24 | 110.7° | 110.5° |
| C24 | C31 | H31 | 106.8° | 113.8° |
| C25 | O26 | C27 | 109.4° | 108.0° |
| O26 | C25 | H25 | 111.5° | 109.8° |
| O26 | C25 | H25A | 111.5° | 109.9° |
| O26 | C27 | O28 | 110.5° | 108.8° |
| O26 | C27 | C31 | 106.9° | 104.0° |
| O26 | C27 | H27 | 110.0° | 112.5° |
| O28 | C27 | C31 | 107.9° | 105.1° |
| C27 | O28 | C29 | 110.4° | 110.4° |
| O28 | C27 | H27 | 109.0° | 112.6° |
| C27 | C31 | C30 | 105.4° | 101.2° |
| C31 | C27 | H27 | 112.5° | 113.3° |
| C27 | C31 | H31 | 118.1° | 114.2° |
| O28 | C29 | C30 | 106.9° | 107.6° |
| O28 | C29 | H29 | 110.3° | 109.8° |
| O28 | C29 | H29A | 110.3° | 109.9° |
| C29 | C30 | C31 | 103.4° | 102.6° |
| C30 | C29 | H29 | 110.4° | 109.8° |
| C30 | C29 | H29A | 110.4° | 109.8° |
| C29 | C30 | H30 | 111.5° | 110.8° |
| C29 | C30 | H30A | 111.5° | 110.7° |
| C31 | C30 | H30 | 111.5° | 110.8° |
| C31 | C30 | H30A | 111.6° | 110.8° |
| C30 | C31 | H31 | 105.8° | 114.7° |
| C32 | C38 | C33 | 120.8° | 120.0° |
| C32 | C38 | C37 | 121.0° | 120.0° |
| C38 | C32 | H32 | 109.0° | 109.5° |
| C38 | C32 | H32A | 108.9° | 109.5° |
| C34 | C33 | C38 | 120.5° | 120.0° |
| C33 | C34 | C35 | 120.5° | 120.0° |
| C34 | C33 | H33 | 119.7° | 120.0° |
| C33 | C34 | H34 | 119.8° | 120.0° |
| C33 | C38 | C37 | 118.3° | 120.0° |
| C38 | C33 | H33 | 119.8° | 120.0° |
| C34 | C35 | C36 | 119.1° | 119.9° |
| C35 | C34 | H34 | 119.8° | 119.9° |
| C34 | C35 | H35 | 120.5° | 120.0° |
| C35 | C36 | C37 | 121.1° | 120.0° |
| C36 | C35 | H35 | 120.5° | 120.0° |
| C35 | C36 | H36 | 119.5° | 120.0° |
| C36 | C37 | C38 | 120.6° | 120.0° |
| C37 | C36 | H36 | 119.5° | 120.0° |
| C36 | C37 | H37 | 119.7° | 120.0° |
| C38 | C37 | H37 | 119.7° | 120.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H12 | C12 | H12A | 109.9° | 109.5° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| H15 | C15 | H15A | 110.6° | 109.5° |
| H16 | C16 | H16A | 109.0° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.4° |
| H18 | C18 | H18B | 109.4° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H25 | C25 | H25A | 107.3° | 109.9° |
| H29 | C29 | H29A | 108.5° | 109.9° |
| H30 | C30 | H30A | 107.3° | 110.9° |
| H32 | C32 | H32A | 110.0° | 109.4° |
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 | 80.6° | 90.1° |
| O1 | C1 | C2 | C7 | 99.2° | 90.3° |
| O1 | C1 | H1 | H1A | 120.0° | 120.0° |
| C1 | C2 | C3 | C7 | 179.8° | 179.7° |
| C1 | C2 | C3 | C4 | 179.7° | 180.0° |
| C1 | C2 | C7 | C6 | 179.9° | 179.8° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 0.3° | 0.1° |
| C1 | C2 | C7 | H7 | 0.1° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C3 | C2 | C7 | C6 | 0.1° | 0.5° |
| C3 | C2 | C1 | H1 | 39.4° | 30.0° |
| C3 | C2 | C1 | H1A | 159.4° | 150.0° |
| C2 | C3 | C4 | H4 | 179.4° | 179.9° |
| C3 | C2 | C7 | H7 | 179.9° | 179.7° |
| C7 | C2 | C3 | C4 | 0.5° | 0.3° |
| C2 | C7 | C6 | C5 | 0.2° | 0.5° |
| C2 | C7 | C6 | H7 | 180.0° | 179.7° |
| C7 | C2 | C1 | H1 | 140.8° | 149.7° |
| C7 | C2 | C1 | H1A | 20.8° | 29.7° |
| C7 | C2 | C3 | H3 | 179.5° | 179.7° |
| C2 | C7 | C6 | H6 | 179.8° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | S8 | 179.0° | 179.9° |
| C4 | C5 | C6 | S8 | 179.4° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.2° |
| C4 | C5 | S8 | O9 | 161.3° | 156.5° |
| C4 | C5 | S8 | O10 | 36.9° | 23.5° |
| C4 | C5 | S8 | N11 | 83.8° | 90.0° |
| C5 | C4 | C3 | H3 | 179.4° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C6 | C5 | S8 | O9 | 19.4° | 23.5° |
| C6 | C5 | S8 | O10 | 143.7° | 156.4° |
| C6 | C5 | S8 | N11 | 95.6° | 90.0° |
| C6 | C5 | C4 | H4 | 179.7° | 180.0° |
| C5 | C6 | C7 | H7 | 179.8° | 179.8° |
| S8 | C5 | C6 | C7 | 179.4° | 179.8° |
| C5 | S8 | O9 | O10 | 121.0° | 123.0° |
| C5 | S8 | O9 | N11 | 120.6° | 114.1° |
| C5 | S8 | O10 | N11 | 123.1° | 114.1° |
| C5 | S8 | N11 | C12 | 50.7° | 90.0° |
| C5 | S8 | N11 | C16 | 85.0° | 90.1° |
| S8 | C5 | C4 | H4 | 1.0° | 0.0° |
| S8 | C5 | C6 | H6 | 0.6° | 0.0° |
| O9 | S8 | O10 | N11 | 115.3° | 122.9° |
| O9 | S8 | N11 | C12 | 67.3° | 23.5° |
| O9 | S8 | N11 | C16 | 156.9° | 156.4° |
| O10 | S8 | N11 | C12 | 171.1° | 156.4° |
| O10 | S8 | N11 | C16 | 35.3° | 23.5° |
| S8 | N11 | C12 | C16 | 134.8° | 179.9° |
| S8 | N11 | C12 | C13 | 143.2° | 93.3° |
| S8 | N11 | C16 | C17 | 117.6° | 94.1° |
| S8 | N11 | C12 | H12 | 23.2° | 146.6° |
| S8 | N11 | C12 | H12A | 96.8° | 26.7° |
| S8 | N11 | C16 | H16 | 122.4° | 145.9° |
| S8 | N11 | C16 | H16A | 2.4° | 25.9° |
| N11 | C12 | C13 | H12 | 120.0° | 120.0° |
| N11 | C12 | C13 | H12A | 120.0° | 120.0° |
| N11 | C12 | C13 | C14 | 59.0° | 65.3° |
| N11 | C12 | C13 | C15 | 175.2° | 174.7° |
| C12 | N11 | C16 | C17 | 108.7° | 86.0° |
| N11 | C12 | H12 | H12A | 119.4° | 119.9° |
| N11 | C12 | C13 | H13 | 56.9° | 54.7° |
| C12 | N11 | C16 | H16 | 11.3° | 34.0° |
| C12 | N11 | C16 | H16A | 131.3° | 154.1° |
| C16 | N11 | C12 | C13 | 82.0° | 86.6° |
| N11 | C16 | C17 | H16 | 120.0° | 120.0° |
| N11 | C16 | C17 | H16A | 120.0° | 120.0° |
| N11 | C16 | C17 | O18 | 168.0° | 65.0° |
| N11 | C16 | C17 | C19 | 69.4° | 175.0° |
| C16 | N11 | C12 | H12 | 158.0° | 33.5° |
| C16 | N11 | C12 | H12A | 38.0° | 153.4° |
| N11 | C16 | H16 | H16A | 120.6° | 120.1° |
| N11 | C16 | C17 | H17 | 47.7° | 55.0° |
| C12 | C13 | C14 | C15 | 124.2° | 120.0° |
| C12 | C13 | C14 | H13 | 117.8° | 119.9° |
| C12 | C13 | C15 | H13 | 118.1° | 120.0° |
| C12 | C13 | C15 | C18 | 63.3° | 175.0° |
| C13 | C12 | H12 | H12A | 119.4° | 120.0° |
| C12 | C13 | C14 | H14 | 180.0° | 53.1° |
| C12 | C13 | C14 | H14A | 60.0° | 173.1° |
| C12 | C13 | C14 | H14B | 60.0° | 67.0° |
| C12 | C13 | C15 | H15 | 56.7° | 65.0° |
| C12 | C13 | C15 | H15A | 176.8° | 55.0° |
| C14 | C13 | C15 | H13 | 116.0° | 120.0° |
| C14 | C13 | C15 | C18 | 62.7° | 65.0° |
| C14 | C13 | C12 | H12 | 61.0° | 54.7° |
| C14 | C13 | C12 | H12A | 179.0° | 174.7° |
| 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 | 177.3° | 55.0° |
| C14 | C13 | C15 | H15A | 57.3° | 175.0° |
| C13 | C15 | C18 | H15 | 120.0° | 120.0° |
| C13 | C15 | C18 | H15A | 120.0° | 120.1° |
| C15 | C13 | C12 | H12 | 64.8° | 65.3° |
| C15 | C13 | C12 | H12A | 55.2° | 54.7° |
| C15 | C13 | C14 | H14 | 55.8° | 66.9° |
| C15 | C13 | C14 | H14A | 175.8° | 53.1° |
| C15 | C13 | C14 | H14B | 64.2° | 173.0° |
| C13 | C15 | H15 | H15A | 118.6° | 120.1° |
| C13 | C15 | C18 | H18 | 180.0° | 60.0° |
| C13 | C15 | C18 | H18A | 60.0° | 179.9° |
| C13 | C15 | C18 | H18B | 60.0° | 60.0° |
| C18 | C15 | C13 | H13 | 178.6° | 55.0° |
| C18 | C15 | H15 | H15A | 118.6° | 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 | 124.9° | 120.0° |
| C16 | C17 | O18 | H17 | 117.8° | 119.9° |
| C16 | C17 | C19 | H17 | 117.5° | 120.0° |
| C16 | C17 | C19 | N20 | 169.2° | 175.0° |
| C16 | C17 | C19 | C32 | 71.4° | 65.0° |
| C17 | C16 | H16 | H16A | 120.6° | 119.9° |
| C16 | C17 | O18 | HO18 | 180.0° | 60.1° |
| C16 | C17 | C19 | H19 | 46.8° | 55.0° |
| O18 | C17 | C19 | H17 | 120.2° | 120.0° |
| O18 | C17 | C19 | N20 | 68.5° | 65.0° |
| O18 | C17 | C19 | C32 | 50.9° | 55.0° |
| O18 | C17 | C16 | H16 | 48.0° | 55.0° |
| O18 | C17 | C16 | H16A | 72.0° | 175.0° |
| O18 | C17 | C19 | H19 | 169.1° | 174.9° |
| C17 | C19 | N20 | C32 | 123.6° | 120.0° |
| C17 | C19 | N20 | H19 | 118.1° | 120.0° |
| C17 | C19 | C32 | H19 | 118.0° | 120.0° |
| C17 | C19 | N20 | C21 | 109.5° | 155.0° |
| C17 | C19 | C32 | C38 | 178.7° | 175.0° |
| C19 | C17 | C16 | H16 | 170.6° | 65.0° |
| C19 | C17 | C16 | H16A | 50.6° | 55.0° |
| C19 | C17 | O18 | HO18 | 55.1° | 59.9° |
| C17 | C19 | N20 | HN20 | 70.6° | 25.0° |
| C17 | C19 | C32 | H32 | 58.7° | 65.0° |
| C17 | C19 | C32 | H32A | 61.3° | 55.0° |
| N20 | C19 | C32 | H19 | 122.4° | 120.1° |
| C19 | N20 | C21 | HN20 | 180.0° | 179.9° |
| C19 | N20 | C21 | O22 | 1.4° | 0.0° |
| C19 | N20 | C21 | O23 | 177.7° | 180.0° |
| N20 | C19 | C32 | C38 | 59.1° | 65.0° |
| N20 | C19 | C17 | H17 | 51.7° | 55.1° |
| N20 | C19 | C32 | H32 | 60.9° | 55.0° |
| N20 | C19 | C32 | H32A | 179.1° | 174.9° |
| C32 | C19 | N20 | C21 | 126.9° | 85.0° |
| C19 | C32 | C38 | H32 | 120.0° | 120.0° |
| C19 | C32 | C38 | H32A | 120.0° | 120.0° |
| C19 | C32 | C38 | C33 | 69.0° | 90.0° |
| C19 | C32 | C38 | C37 | 111.4° | 90.0° |
| C32 | C19 | C17 | H17 | 171.1° | 175.0° |
| C32 | C19 | N20 | HN20 | 53.1° | 95.0° |
| C19 | C32 | H32 | H32A | 119.4° | 120.0° |
| N20 | C21 | O22 | O23 | 179.1° | 180.0° |
| N20 | C21 | O23 | C24 | 167.0° | 180.0° |
| C21 | N20 | C19 | H19 | 8.7° | 35.0° |
| O22 | C21 | O23 | C24 | 13.8° | 0.0° |
| O22 | C21 | N20 | HN20 | 178.6° | 180.0° |
| C21 | O23 | C24 | C25 | 146.5° | 91.4° |
| C21 | O23 | C24 | C31 | 103.0° | 153.2° |
| O23 | C21 | N20 | HN20 | 2.3° | 0.0° |
| C21 | O23 | C24 | H24 | 20.2° | 30.9° |
| O23 | C24 | C25 | C31 | 115.6° | 118.8° |
| O23 | C24 | C25 | H24 | 122.2° | 122.2° |
| O23 | C24 | C31 | H24 | 123.2° | 122.3° |
| O23 | C24 | C25 | O26 | 80.8° | 115.4° |
| O23 | C24 | C31 | C27 | 85.0° | 136.5° |
| O23 | C24 | C31 | C30 | 31.0° | 29.8° |
| O23 | C24 | C25 | H25 | 159.2° | 125.2° |
| O23 | C24 | C25 | H25A | 39.3° | 4.1° |
| O23 | C24 | C31 | H31 | 149.2° | 99.5° |
| C25 | C24 | C31 | H24 | 126.3° | 118.9° |
| C24 | C25 | O26 | H25 | 120.0° | 119.4° |
| C24 | C25 | O26 | H25A | 120.0° | 119.5° |
| C24 | C25 | O26 | C27 | 31.7° | 25.6° |
| C25 | C24 | C31 | C27 | 25.6° | 17.7° |
| C25 | C24 | C31 | C30 | 141.6° | 89.0° |
| C24 | C25 | H25 | H25A | 122.4° | 121.0° |
| C25 | C24 | C31 | H31 | 100.3° | 141.7° |
| C31 | C24 | C25 | O26 | 34.9° | 3.4° |
| C24 | C31 | C27 | O26 | 7.2° | 33.0° |
| C24 | C31 | C27 | O28 | 111.6° | 147.3° |
| C24 | C31 | C27 | C30 | 123.8° | 112.5° |
| C24 | C31 | C27 | H31 | 118.3° | 123.8° |
| C24 | C31 | C30 | C29 | 93.5° | 140.9° |
| C24 | C31 | C30 | H31 | 118.7° | 128.8° |
| C31 | C24 | C25 | H25 | 85.1° | 116.0° |
| C31 | C24 | C25 | H25A | 154.9° | 122.9° |
| C24 | C31 | C27 | H27 | 128.1° | 89.4° |
| C24 | C31 | C30 | H30 | 146.6° | 100.9° |
| C24 | C31 | C30 | H30A | 26.5° | 22.6° |
| C25 | O26 | C27 | O28 | 132.7° | 148.5° |
| C25 | O26 | C27 | C31 | 15.5° | 36.9° |
| O26 | C25 | C24 | H24 | 157.1° | 122.3° |
| O26 | C25 | H25 | H25A | 122.4° | 121.1° |
| C25 | O26 | C27 | H27 | 106.9° | 86.0° |
| O26 | C27 | O28 | C31 | 116.6° | 110.9° |
| O26 | C27 | O28 | H27 | 121.0° | 125.4° |
| O26 | C27 | C31 | H27 | 120.9° | 122.5° |
| O26 | C27 | O28 | C29 | 113.0° | 88.0° |
| O26 | C27 | C31 | C30 | 131.1° | 79.5° |
| C27 | O26 | C25 | H25 | 88.4° | 93.8° |
| C27 | O26 | C25 | H25A | 151.7° | 145.1° |
| O26 | C27 | C31 | H31 | 111.1° | 156.8° |
| O28 | C27 | C31 | H27 | 120.3° | 123.3° |
| C27 | O28 | C29 | C30 | 18.0° | 0.9° |
| O28 | C27 | C31 | C30 | 12.2° | 34.8° |
| C27 | O28 | C29 | H29 | 138.0° | 120.4° |
| C27 | O28 | C29 | H29A | 102.0° | 118.6° |
| O28 | C27 | C31 | H31 | 130.0° | 89.0° |
| C31 | C27 | O28 | C29 | 3.6° | 22.8° |
| C27 | C31 | C30 | C29 | 22.0° | 33.1° |
| C27 | C31 | C30 | H31 | 125.8° | 123.4° |
| C27 | C31 | C24 | H24 | 151.8° | 101.2° |
| C27 | C31 | C30 | H30 | 98.0° | 151.4° |
| C27 | C31 | C30 | H30A | 142.0° | 85.2° |
| O28 | C29 | C30 | H29 | 120.0° | 119.5° |
| O28 | C29 | C30 | H29A | 120.0° | 119.6° |
| O28 | C29 | C30 | C31 | 24.6° | 21.2° |
| C29 | O28 | C27 | H27 | 126.1° | 146.5° |
| O28 | C29 | H29 | H29A | 121.0° | 120.9° |
| O28 | C29 | C30 | H30 | 95.4° | 139.5° |
| O28 | C29 | C30 | H30A | 144.6° | 97.0° |
| C29 | C30 | C31 | H30 | 120.0° | 118.3° |
| C29 | C30 | C31 | H30A | 120.0° | 118.2° |
| C30 | C29 | H29 | H29A | 121.1° | 120.9° |
| C29 | C30 | H30 | H30A | 122.4° | 123.4° |
| C29 | C30 | C31 | H31 | 147.8° | 90.4° |
| C30 | C31 | C24 | H24 | 92.2° | 152.1° |
| C30 | C31 | C27 | H27 | 108.1° | 158.1° |
| C31 | C30 | C29 | H29 | 144.6° | 98.2° |
| C31 | C30 | C29 | H29A | 95.4° | 140.8° |
| C31 | C30 | H30 | H30A | 122.5° | 123.5° |
| C32 | C38 | C33 | C34 | 179.4° | 180.0° |
| C32 | C38 | C33 | C37 | 179.6° | 180.0° |
| C32 | C38 | C37 | C36 | 179.6° | 180.0° |
| C38 | C32 | C19 | H19 | 63.3° | 55.0° |
| C38 | C32 | H32 | H32A | 119.4° | 120.0° |
| C32 | C38 | C33 | H33 | 0.6° | 0.3° |
| C32 | C38 | C37 | H37 | 0.4° | 0.0° |
| C34 | C33 | C38 | H33 | 180.0° | 179.7° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.5° | 0.0° |
| C34 | C33 | C38 | C37 | 1.0° | 0.0° |
| C33 | C34 | C35 | H35 | 179.5° | 180.0° |
| C38 | C33 | C34 | C35 | 0.9° | 0.0° |
| C33 | C38 | C37 | C36 | 0.8° | 0.0° |
| C33 | C38 | C32 | H32 | 171.0° | 30.0° |
| C33 | C38 | C32 | H32A | 51.0° | 150.0° |
| C38 | C33 | C34 | H34 | 179.1° | 180.0° |
| C33 | C38 | C37 | H37 | 179.3° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.3° | 0.0° |
| C35 | C34 | C33 | H33 | 179.1° | 179.7° |
| C34 | C35 | C36 | H36 | 179.8° | 180.0° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.4° | 0.0° |
| C36 | C35 | C34 | H34 | 179.5° | 180.0° |
| C35 | C36 | C37 | H37 | 179.6° | 180.0° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C37 | C36 | C35 | H35 | 179.8° | 180.0° |
| C37 | C38 | C32 | H32 | 8.6° | 150.0° |
| C37 | C38 | C32 | H32A | 128.6° | 30.0° |
| C37 | C38 | C33 | H33 | 179.0° | 179.7° |
| C38 | C37 | C36 | H36 | 179.6° | 180.0° |
| H1 | C1 | O1 | HO1 | 60.1° | 60.0° |
| H1A | C1 | O1 | HO1 | 60.0° | 60.1° |
| H3 | C3 | C4 | H4 | 0.6° | 0.0° |
| H6 | C6 | C7 | H7 | 0.2° | 0.0° |
| H12 | C12 | C13 | H13 | 176.9° | 174.6° |
| H12A | C12 | C13 | H13 | 63.1° | 65.3° |
| H13 | C13 | C14 | H14 | 62.2° | 173.0° |
| H13 | C13 | C14 | H14A | 57.8° | 67.0° |
| H13 | C13 | C14 | H14B | 177.8° | 53.0° |
| H13 | C13 | C15 | H15 | 61.4° | 175.0° |
| H13 | C13 | C15 | H15A | 58.6° | 65.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H15 | C15 | C18 | H18 | 60.0° | 60.0° |
| H15 | C15 | C18 | H18A | 180.0° | 59.9° |
| H15 | C15 | C18 | H18B | 60.0° | NaN° |
| H15A | C15 | C18 | H18 | 60.0° | 179.9° |
| H15A | C15 | C18 | H18A | 60.0° | 60.0° |
| H15A | C15 | C18 | H18B | 180.0° | 60.1° |
| H16 | C16 | C17 | H17 | 72.2° | 175.0° |
| H16A | C16 | C17 | H17 | 167.7° | 65.1° |
| H17 | C17 | O18 | HO18 | 62.2° | 180.0° |
| H17 | C17 | C19 | H19 | 70.7° | 65.0° |
| H18 | C18 | H18A | H18B | 120.0° | 120.1° |
| H19 | C19 | N20 | HN20 | 171.3° | 145.0° |
| H19 | C19 | C32 | H32 | 176.7° | 175.1° |
| H19 | C19 | C32 | H32A | 56.7° | 65.0° |
| H24 | C24 | C25 | H25 | 37.0° | 2.9° |
| H24 | C24 | C25 | H25A | 82.9° | 118.1° |
| H24 | C24 | C31 | H31 | 26.0° | 22.8° |
| H27 | C27 | C31 | H31 | 9.7° | 34.3° |
| H29 | C29 | C30 | H30 | 24.6° | 20.1° |
| H29 | C29 | C30 | H30A | 95.4° | 143.5° |
| H29A | C29 | C30 | H30 | 144.6° | 100.9° |
| H29A | C29 | C30 | H30A | 24.6° | 22.6° |
| H30 | C30 | C31 | H31 | 27.9° | 27.9° |
| H30A | C30 | C31 | H31 | 92.2° | 151.4° |
| H33 | C33 | C34 | H34 | 0.9° | 0.3° |
| H34 | C34 | C35 | H35 | 0.5° | 0.0° |
| H35 | C35 | C36 | H36 | 0.2° | 0.0° |
| H36 | C36 | C37 | H37 | 0.3° | 0.1° |
