QDL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C42 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| O40 | C37 | sing | 1.43Å | 1.43Å | |
| C35 | C41 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.50Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C38 | C39 | sing | 1.50Å | 1.51Å | |
| C34 | C39 | doub | 1.32Å | 1.34Å | |
| C34 | C33 | sing | 1.42Å | 1.45Å | |
| C39 | C43 | sing | 1.51Å | 1.50Å | |
| C33 | C31 | doub | 1.36Å | 1.33Å | |
| C32 | C30 | sing | 1.51Å | 1.50Å | |
| C31 | C30 | sing | 1.41Å | 1.46Å | |
| C30 | C29 | doub | 1.37Å | 1.36Å | |
| C29 | C27 | sing | 1.40Å | 1.43Å | |
| C27 | C26 | doub | 1.38Å | 1.34Å | |
| C28 | C25 | sing | 1.51Å | 1.50Å | |
| C26 | C25 | sing | 1.40Å | 1.46Å | |
| C25 | C24 | doub | 1.38Å | 1.36Å | |
| C24 | C23 | sing | 1.40Å | 1.44Å | |
| C23 | C22 | doub | 1.38Å | 1.35Å | |
| C22 | C20 | sing | 1.40Å | 1.43Å | |
| C20 | C18 | doub | 1.38Å | 1.36Å | |
| C18 | C17 | sing | 1.40Å | 1.46Å | |
| C18 | C21 | sing | 1.51Å | 1.50Å | |
| C17 | C16 | doub | 1.37Å | 1.34Å | |
| C16 | C15 | sing | 1.41Å | 1.43Å | |
| C15 | C14 | doub | 1.36Å | 1.36Å | |
| C14 | C13 | sing | 1.42Å | 1.46Å | |
| C14 | C19 | sing | 1.51Å | 1.50Å | |
| C11 | C6 | sing | 1.53Å | 1.53Å | |
| C13 | C8 | doub | 1.34Å | 1.32Å | |
| O7 | C5 | sing | 1.42Å | 1.41Å | |
| O7 | C4 | sing | 1.42Å | 1.46Å | |
| C8 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | C4 | sing | 1.52Å | 1.48Å | |
| C6 | C1 | sing | 1.53Å | 1.54Å | |
| C6 | C10 | sing | 1.53Å | 1.53Å | |
| C4 | C9 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.52Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | O12 | sing | 1.43Å | 1.43Å | |
| C1 | HC1B | sing | 1.09Å | 1.10Å | |
| C1 | HC1A | sing | 1.09Å | 1.10Å | |
| C2 | HC2 | sing | 1.09Å | 1.10Å | |
| C3 | HC3B | sing | 1.09Å | 1.10Å | |
| C3 | HC3A | sing | 1.09Å | 1.10Å | |
| C10 | H10C | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C11 | H11C | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C13 | HC13 | sing | 1.08Å | 1.08Å | |
| C15 | HC15 | sing | 1.08Å | 1.08Å | |
| C16 | HC16 | sing | 1.08Å | 1.08Å | |
| C17 | HC17 | sing | 1.08Å | 1.08Å | |
| C19 | H19C | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | HC20 | sing | 1.08Å | 1.08Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C21 | H21C | sing | 1.09Å | 1.10Å | |
| C22 | HC22 | sing | 1.08Å | 1.08Å | |
| C23 | HC23 | sing | 1.08Å | 1.08Å | |
| C24 | HC24 | sing | 1.08Å | 1.08Å | |
| C26 | HC26 | sing | 1.08Å | 1.08Å | |
| C27 | HC27 | sing | 1.08Å | 1.08Å | |
| C28 | H28C | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C29 | HC29 | sing | 1.08Å | 1.08Å | |
| C31 | HC31 | sing | 1.08Å | 1.08Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32C | sing | 1.09Å | 1.10Å | |
| C33 | HC33 | sing | 1.08Å | 1.08Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | HC37 | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C41 | H41C | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C42 | H42C | sing | 1.09Å | 1.10Å | |
| C42 | H42B | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å | |
| C43 | H43C | sing | 1.09Å | 1.10Å | |
| C8 | HC8 | sing | 1.08Å | 1.08Å | |
| C9 | HC9B | sing | 1.09Å | 1.10Å | |
| C9 | HC9C | sing | 1.09Å | 1.10Å | |
| C9 | HC9A | sing | 1.09Å | 1.10Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| O40 | HO40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C42 | C35 | C36 | 107.0° | 109.2° |
| C42 | C35 | C41 | 108.7° | 109.4° |
| C42 | C35 | C34 | 110.4° | 109.4° |
| C35 | C42 | H42A | 109.5° | 109.5° |
| C35 | C42 | H42C | 109.5° | 109.5° |
| C35 | C42 | H42B | 109.5° | 109.4° |
| C35 | C36 | C37 | 112.2° | 108.5° |
| C36 | C35 | C41 | 107.6° | 109.4° |
| C36 | C35 | C34 | 112.7° | 110.1° |
| C35 | C36 | H36B | 108.8° | 109.7° |
| C35 | C36 | H36A | 108.8° | 109.5° |
| C36 | C37 | O40 | 109.7° | 109.6° |
| C36 | C37 | C38 | 109.9° | 108.5° |
| C37 | C36 | H36B | 108.8° | 109.7° |
| C37 | C36 | H36A | 108.8° | 109.6° |
| C36 | C37 | HC37 | 108.8° | 109.6° |
| O40 | C37 | C38 | 109.8° | 109.6° |
| O40 | C37 | HC37 | 110.0° | 109.8° |
| C37 | O40 | HO40 | 109.5° | 114.0° |
| C41 | C35 | C34 | 110.3° | 109.3° |
| C35 | C41 | H41C | 109.5° | 109.5° |
| C35 | C41 | H41A | 109.4° | 109.4° |
| C35 | C41 | H41B | 109.5° | 109.5° |
| C35 | C34 | C39 | 123.1° | 123.7° |
| C35 | C34 | C33 | 115.2° | 118.1° |
| C37 | C38 | C39 | 112.4° | 110.1° |
| C38 | C37 | HC37 | 108.8° | 109.6° |
| C37 | C38 | H38B | 108.7° | 109.3° |
| C37 | C38 | H38A | 108.7° | 109.4° |
| C38 | C39 | C34 | 121.4° | 123.7° |
| C38 | C39 | C43 | 114.2° | 118.2° |
| C39 | C38 | H38B | 108.7° | 109.4° |
| C39 | C38 | H38A | 108.7° | 109.4° |
| C39 | C34 | C33 | 121.8° | 118.2° |
| C34 | C39 | C43 | 124.4° | 118.1° |
| C34 | C33 | C31 | 127.6° | 120.0° |
| C34 | C33 | HC33 | 116.2° | 120.0° |
| C39 | C43 | H43A | 109.5° | 109.5° |
| C39 | C43 | H43B | 109.5° | 109.4° |
| C39 | C43 | H43C | 109.5° | 109.5° |
| C33 | C31 | C30 | 126.4° | 120.0° |
| C33 | C31 | HC31 | 116.8° | 120.0° |
| C31 | C33 | HC33 | 116.2° | 120.0° |
| C32 | C30 | C31 | 117.8° | 120.1° |
| C32 | C30 | C29 | 122.7° | 120.0° |
| C30 | C32 | H32A | 109.5° | 109.5° |
| C30 | C32 | H32B | 109.5° | 109.5° |
| C30 | C32 | H32C | 109.4° | 109.5° |
| C31 | C30 | C29 | 119.5° | 120.0° |
| C30 | C31 | HC31 | 116.8° | 120.0° |
| C30 | C29 | C27 | 127.3° | 120.0° |
| C30 | C29 | HC29 | 116.3° | 120.0° |
| C29 | C27 | C26 | 124.8° | 120.0° |
| C29 | C27 | HC27 | 117.6° | 120.0° |
| C27 | C29 | HC29 | 116.3° | 119.9° |
| C27 | C26 | C25 | 126.5° | 120.0° |
| C27 | C26 | HC26 | 116.7° | 120.0° |
| C26 | C27 | HC27 | 117.6° | 120.0° |
| C28 | C25 | C26 | 117.7° | 120.0° |
| C28 | C25 | C24 | 122.9° | 120.0° |
| C25 | C28 | H28C | 109.5° | 109.5° |
| C25 | C28 | H28A | 109.5° | 109.5° |
| C25 | C28 | H28B | 109.5° | 109.4° |
| C26 | C25 | C24 | 119.4° | 120.0° |
| C25 | C26 | HC26 | 116.7° | 120.0° |
| C25 | C24 | C23 | 127.6° | 120.0° |
| C25 | C24 | HC24 | 116.2° | 120.0° |
| C24 | C23 | C22 | 124.8° | 120.0° |
| C24 | C23 | HC23 | 117.6° | 119.9° |
| C23 | C24 | HC24 | 116.2° | 120.0° |
| C23 | C22 | C20 | 122.0° | 120.0° |
| C23 | C22 | HC22 | 119.0° | 120.0° |
| C22 | C23 | HC23 | 117.6° | 120.1° |
| C22 | C20 | C18 | 128.4° | 120.0° |
| C22 | C20 | HC20 | 115.8° | 120.0° |
| C20 | C22 | HC22 | 119.0° | 120.0° |
| C20 | C18 | C17 | 118.5° | 120.0° |
| C20 | C18 | C21 | 123.3° | 120.0° |
| C18 | C20 | HC20 | 115.8° | 120.0° |
| C17 | C18 | C21 | 118.1° | 120.0° |
| C18 | C17 | C16 | 128.0° | 120.0° |
| C18 | C17 | HC17 | 116.0° | 120.0° |
| C18 | C21 | H21A | 109.5° | 109.4° |
| C18 | C21 | H21B | 109.4° | 109.4° |
| C18 | C21 | H21C | 109.5° | 109.5° |
| C17 | C16 | C15 | 122.2° | 120.0° |
| C17 | C16 | HC16 | 118.9° | 120.0° |
| C16 | C17 | HC17 | 116.0° | 120.0° |
| C16 | C15 | C14 | 128.1° | 120.0° |
| C16 | C15 | HC15 | 115.9° | 120.0° |
| C15 | C16 | HC16 | 118.9° | 120.1° |
| C15 | C14 | C13 | 118.7° | 120.0° |
| C15 | C14 | C19 | 123.1° | 120.0° |
| C14 | C15 | HC15 | 115.9° | 120.0° |
| C13 | C14 | C19 | 118.1° | 120.0° |
| C14 | C13 | C8 | 128.1° | 120.0° |
| C14 | C13 | HC13 | 116.0° | 120.0° |
| C14 | C19 | H19C | 109.5° | 109.5° |
| C14 | C19 | H19A | 109.5° | 109.5° |
| C14 | C19 | H19B | 109.5° | 109.5° |
| C11 | C6 | C5 | 109.9° | 109.3° |
| C11 | C6 | C1 | 109.1° | 109.1° |
| C11 | C6 | C10 | 107.3° | 109.2° |
| C6 | C11 | H11C | 109.5° | 109.4° |
| C6 | C11 | H11B | 109.5° | 109.4° |
| C6 | C11 | H11A | 109.5° | 109.5° |
| C13 | C8 | C5 | 125.2° | 120.0° |
| C8 | C13 | HC13 | 116.0° | 120.1° |
| C13 | C8 | HC8 | 117.4° | 120.1° |
| C5 | O7 | C4 | 62.2° | 64.8° |
| O7 | C5 | C8 | 113.3° | 117.6° |
| O7 | C5 | C6 | 113.2° | 115.6° |
| O7 | C5 | C4 | 60.3° | 57.7° |
| O7 | C4 | C5 | 57.5° | 57.5° |
| O7 | C4 | C9 | 115.1° | 116.3° |
| O7 | C4 | C3 | 113.6° | 120.1° |
| C8 | C5 | C6 | 115.1° | 115.6° |
| C8 | C5 | C4 | 120.1° | 117.3° |
| C5 | C8 | HC8 | 117.4° | 120.0° |
| C6 | C5 | C4 | 121.4° | 120.6° |
| C5 | C6 | C1 | 109.4° | 110.2° |
| C5 | C6 | C10 | 112.5° | 109.4° |
| C5 | C4 | C9 | 122.4° | 116.3° |
| C5 | C4 | C3 | 121.9° | 119.9° |
| C1 | C6 | C10 | 108.7° | 109.6° |
| C6 | C1 | C2 | 114.5° | 108.8° |
| C6 | C1 | HC1B | 108.2° | 109.7° |
| C6 | C1 | HC1A | 108.2° | 109.6° |
| C6 | C10 | H10C | 109.5° | 109.5° |
| C6 | C10 | H10A | 109.4° | 109.5° |
| C6 | C10 | H10B | 109.4° | 109.4° |
| C9 | C4 | C3 | 112.9° | 114.8° |
| C4 | C9 | HC9B | 109.5° | 109.4° |
| C4 | C9 | HC9C | 109.4° | 109.4° |
| C4 | C9 | HC9A | 109.5° | 109.5° |
| C4 | C3 | C2 | 111.8° | 110.5° |
| C4 | C3 | HC3B | 108.9° | 109.3° |
| C4 | C3 | HC3A | 108.9° | 109.2° |
| C3 | C2 | C1 | 110.1° | 108.6° |
| C3 | C2 | O12 | 109.7° | 109.6° |
| C3 | C2 | HC2 | 108.7° | 109.6° |
| C2 | C3 | HC3B | 108.9° | 109.3° |
| C2 | C3 | HC3A | 108.9° | 109.3° |
| C1 | C2 | O12 | 109.7° | 109.6° |
| C2 | C1 | HC1B | 108.2° | 109.6° |
| C2 | C1 | HC1A | 108.2° | 109.6° |
| C1 | C2 | HC2 | 108.7° | 109.6° |
| O12 | C2 | HC2 | 109.9° | 109.8° |
| C2 | O12 | HO12 | 109.5° | 114.0° |
| HC1B | C1 | HC1A | 109.5° | 109.6° |
| HC3B | C3 | HC3A | 109.5° | 109.3° |
| H10C | C10 | H10A | 109.5° | 109.5° |
| H10C | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| H11C | C11 | H11B | 109.4° | 109.4° |
| H11C | C11 | H11A | 109.5° | 109.5° |
| H11B | C11 | H11A | 109.5° | 109.5° |
| H19C | C19 | H19A | 109.5° | 109.5° |
| H19C | C19 | H19B | 109.5° | 109.4° |
| H19A | C19 | H19B | 109.5° | 109.4° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21C | 109.5° | 109.5° |
| H21B | C21 | H21C | 109.5° | 109.5° |
| H28C | C28 | H28A | 109.4° | 109.5° |
| H28C | C28 | H28B | 109.4° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.4° |
| H32A | C32 | H32B | 109.5° | 109.5° |
| H32A | C32 | H32C | 109.5° | 109.5° |
| H32B | C32 | H32C | 109.5° | 109.4° |
| H36B | C36 | H36A | 109.5° | 109.8° |
| H38B | C38 | H38A | 109.5° | 109.2° |
| H41C | C41 | H41A | 109.5° | 109.4° |
| H41C | C41 | H41B | 109.4° | 109.5° |
| H41A | C41 | H41B | 109.5° | 109.4° |
| H42A | C42 | H42C | 109.5° | 109.5° |
| H42A | C42 | H42B | 109.5° | 109.5° |
| H42C | C42 | H42B | 109.5° | 109.5° |
| H43A | C43 | H43B | 109.5° | 109.4° |
| H43A | C43 | H43C | 109.5° | 109.5° |
| H43B | C43 | H43C | 109.4° | 109.5° |
| HC9B | C9 | HC9C | 109.5° | 109.5° |
| HC9B | C9 | HC9A | 109.5° | 109.5° |
| HC9C | C9 | HC9A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C42 | C35 | C36 | C41 | 116.7° | 119.7° |
| C42 | C35 | C36 | C34 | 121.5° | 120.1° |
| C42 | C35 | C36 | C37 | 161.1° | 170.0° |
| C42 | C35 | C41 | C34 | 121.1° | 119.7° |
| C42 | C35 | C34 | C39 | 132.8° | 137.2° |
| C42 | C35 | C34 | C33 | 46.9° | 43.0° |
| C42 | C35 | C36 | H36B | 40.7° | 50.2° |
| C42 | C35 | C36 | H36A | 78.5° | 70.4° |
| C42 | C35 | C41 | H41C | 180.0° | 179.8° |
| C42 | C35 | C41 | H41A | 60.0° | 60.3° |
| C42 | C35 | C41 | H41B | 60.0° | 59.7° |
| C35 | C42 | H42A | H42C | 120.0° | 120.1° |
| C35 | C42 | H42A | H42B | 120.0° | 120.0° |
| C35 | C42 | H42C | H42B | 120.0° | 120.0° |
| C35 | C36 | C37 | H36B | 120.4° | 119.8° |
| C35 | C36 | C37 | H36A | 120.4° | 119.6° |
| C35 | C36 | C37 | O40 | 179.3° | 172.0° |
| C36 | C35 | C41 | C34 | 123.3° | 120.6° |
| C35 | C36 | C37 | C38 | 59.9° | 68.3° |
| C36 | C35 | C34 | C39 | 13.2° | 17.2° |
| C36 | C35 | C34 | C33 | 166.6° | 163.0° |
| C35 | C36 | H36B | H36A | 118.7° | 120.4° |
| C35 | C36 | C37 | HC37 | 59.1° | 51.4° |
| C36 | C35 | C41 | H41C | 64.4° | 60.6° |
| C36 | C35 | C41 | H41A | 55.6° | 59.4° |
| C36 | C35 | C41 | H41B | 175.6° | 179.3° |
| C36 | C35 | C42 | H42A | 180.0° | 54.6° |
| C36 | C35 | C42 | H42C | 60.0° | 65.4° |
| C36 | C35 | C42 | H42B | 60.0° | 174.6° |
| C36 | C37 | O40 | C38 | 120.8° | 119.1° |
| C36 | C37 | O40 | HC37 | 119.5° | 120.5° |
| C37 | C36 | C35 | C41 | 82.2° | 70.3° |
| C37 | C36 | C35 | C34 | 39.6° | 49.9° |
| C36 | C37 | C38 | HC37 | 119.0° | 119.7° |
| C36 | C37 | C38 | C39 | 51.9° | 49.9° |
| C37 | C36 | H36B | H36A | 118.7° | 120.5° |
| C36 | C37 | C38 | H38B | 68.6° | 70.4° |
| C36 | C37 | C38 | H38A | 172.3° | 170.1° |
| C36 | C37 | O40 | HO40 | 180.0° | 180.0° |
| O40 | C37 | C38 | HC37 | 120.3° | 120.6° |
| O40 | C37 | C38 | C39 | 172.6° | 169.6° |
| O40 | C37 | C36 | H36B | 60.3° | 68.3° |
| O40 | C37 | C36 | H36A | 58.9° | 52.4° |
| O40 | C37 | C38 | H38B | 52.1° | 49.4° |
| O40 | C37 | C38 | H38A | 67.0° | 70.2° |
| C41 | C35 | C34 | C39 | 107.1° | 103.0° |
| C41 | C35 | C34 | C33 | 73.2° | 76.7° |
| C41 | C35 | C36 | H36B | 157.4° | 170.0° |
| C41 | C35 | C36 | H36A | 38.2° | 49.4° |
| C35 | C41 | H41C | H41A | 120.0° | 120.0° |
| C35 | C41 | H41C | H41B | 120.0° | 120.1° |
| C35 | C41 | H41A | H41B | 120.0° | 120.0° |
| C41 | C35 | C42 | H42A | 64.0° | 65.1° |
| C41 | C35 | C42 | H42C | 56.0° | 174.8° |
| C41 | C35 | C42 | H42B | 176.0° | 54.8° |
| C35 | C34 | C39 | C38 | 6.6° | 0.4° |
| C35 | C34 | C39 | C33 | 179.7° | 179.7° |
| C35 | C34 | C39 | C43 | 174.5° | 179.3° |
| C35 | C34 | C33 | C31 | 106.3° | 123.1° |
| C35 | C34 | C33 | HC33 | 73.7° | 56.9° |
| C34 | C35 | C36 | H36B | 80.8° | 69.9° |
| C34 | C35 | C36 | H36A | 160.0° | 169.5° |
| C34 | C35 | C41 | H41C | 58.9° | 60.0° |
| C34 | C35 | C41 | H41A | 178.9° | 180.0° |
| C34 | C35 | C41 | H41B | 61.1° | 60.0° |
| C34 | C35 | C42 | H42A | 57.0° | 175.2° |
| C34 | C35 | C42 | H42C | 177.0° | 55.1° |
| C34 | C35 | C42 | H42B | 62.9° | 64.9° |
| C37 | C38 | C39 | H38B | 120.4° | 120.2° |
| C37 | C38 | C39 | H38A | 120.4° | 120.3° |
| C37 | C38 | C39 | C34 | 26.2° | 17.2° |
| C37 | C38 | C39 | C43 | 154.8° | 162.6° |
| C38 | C37 | C36 | H36B | 60.5° | 51.5° |
| C38 | C37 | C36 | H36A | 179.7° | 172.1° |
| C37 | C38 | H38B | H38A | 118.6° | 119.7° |
| C38 | C37 | O40 | HO40 | 59.1° | 60.9° |
| C38 | C39 | C34 | C43 | 178.9° | 179.7° |
| C38 | C39 | C34 | C33 | 173.1° | 179.8° |
| C39 | C38 | C37 | HC37 | 67.1° | 69.9° |
| C39 | C38 | H38B | H38A | 118.7° | 119.7° |
| C38 | C39 | C43 | H43A | 180.0° | 95.5° |
| C38 | C39 | C43 | H43B | 60.0° | 24.4° |
| C38 | C39 | C43 | H43C | 60.0° | 144.5° |
| C39 | C34 | C33 | C31 | 74.0° | 57.1° |
| C39 | C34 | C33 | HC33 | 106.0° | 122.9° |
| C34 | C39 | C38 | H38B | 94.2° | 103.0° |
| C34 | C39 | C38 | H38A | 146.6° | 137.4° |
| C34 | C39 | C43 | H43A | 1.0° | 84.8° |
| C34 | C39 | C43 | H43B | 119.0° | 155.3° |
| C34 | C39 | C43 | H43C | 121.0° | 35.3° |
| C33 | C34 | C39 | C43 | 5.8° | 0.4° |
| C34 | C33 | C31 | HC33 | 180.0° | 179.9° |
| C34 | C33 | C31 | C30 | 179.9° | 174.0° |
| C34 | C33 | C31 | HC31 | 0.1° | 6.0° |
| C43 | C39 | C38 | H38B | 84.8° | 77.3° |
| C43 | C39 | C38 | H38A | 34.3° | 42.3° |
| C39 | C43 | H43A | H43B | 120.0° | 119.9° |
| C39 | C43 | H43A | H43C | 120.0° | 120.0° |
| C39 | C43 | H43B | H43C | 120.0° | 120.0° |
| C33 | C31 | C30 | C32 | 0.3° | 0.0° |
| C33 | C31 | C30 | HC31 | 180.0° | 180.0° |
| C33 | C31 | C30 | C29 | 179.1° | 180.0° |
| C32 | C30 | C31 | C29 | 179.4° | 180.0° |
| C32 | C30 | C29 | C27 | 0.5° | 0.0° |
| C32 | C30 | C29 | HC29 | 179.5° | 180.0° |
| C32 | C30 | C31 | HC31 | 179.7° | 180.0° |
| C30 | C32 | H32A | H32B | 120.0° | 120.0° |
| C30 | C32 | H32A | H32C | 120.0° | 120.0° |
| C30 | C32 | H32B | H32C | 120.0° | 120.0° |
| C31 | C30 | C29 | C27 | 178.8° | 180.0° |
| C31 | C30 | C29 | HC29 | 1.2° | 0.0° |
| C31 | C30 | C32 | H32A | 180.0° | 90.0° |
| C31 | C30 | C32 | H32B | 60.0° | 30.0° |
| C31 | C30 | C32 | H32C | 60.0° | 150.0° |
| C30 | C31 | C33 | HC33 | 0.1° | 5.9° |
| C30 | C29 | C27 | HC29 | 180.0° | 180.0° |
| C30 | C29 | C27 | C26 | 153.0° | 180.0° |
| C30 | C29 | C27 | HC27 | 27.0° | 0.0° |
| C29 | C30 | C31 | HC31 | 0.9° | 0.0° |
| C29 | C30 | C32 | H32A | 0.7° | 90.0° |
| C29 | C30 | C32 | H32B | 119.4° | 150.0° |
| C29 | C30 | C32 | H32C | 120.7° | 30.0° |
| C29 | C27 | C26 | HC27 | 180.0° | 180.0° |
| C29 | C27 | C26 | C25 | 179.1° | 180.0° |
| C29 | C27 | C26 | HC26 | 0.9° | 0.0° |
| C27 | C26 | C25 | C28 | 1.2° | 0.0° |
| C27 | C26 | C25 | HC26 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 179.5° | 180.0° |
| C26 | C27 | C29 | HC29 | 27.0° | 0.0° |
| C28 | C25 | C26 | C24 | 179.4° | 180.0° |
| C28 | C25 | C24 | C23 | 1.0° | 0.0° |
| C28 | C25 | C24 | HC24 | 178.9° | 180.0° |
| C28 | C25 | C26 | HC26 | 178.8° | 180.0° |
| C25 | C28 | H28C | H28A | 120.0° | 120.1° |
| C25 | C28 | H28C | H28B | 120.0° | 120.0° |
| C25 | C28 | H28A | H28B | 120.0° | 120.0° |
| C26 | C25 | C24 | C23 | 178.3° | 180.0° |
| C26 | C25 | C24 | HC24 | 1.7° | 0.0° |
| C25 | C26 | C27 | HC27 | 0.9° | 0.0° |
| C26 | C25 | C28 | H28C | 180.0° | 90.0° |
| C26 | C25 | C28 | H28A | 60.0° | 30.0° |
| C26 | C25 | C28 | H28B | 60.0° | 150.0° |
| C25 | C24 | C23 | HC24 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 176.7° | 180.0° |
| C25 | C24 | C23 | HC23 | 3.4° | 0.0° |
| C24 | C25 | C26 | HC26 | 0.5° | 0.0° |
| C24 | C25 | C28 | H28C | 0.7° | 90.0° |
| C24 | C25 | C28 | H28A | 120.6° | 150.0° |
| C24 | C25 | C28 | H28B | 119.3° | 30.0° |
| C24 | C23 | C22 | HC23 | 180.0° | 180.0° |
| C24 | C23 | C22 | C20 | 179.7° | 180.0° |
| C24 | C23 | C22 | HC22 | 0.3° | 0.0° |
| C23 | C22 | C20 | HC22 | 180.0° | 180.0° |
| C23 | C22 | C20 | C18 | 167.6° | 180.0° |
| C23 | C22 | C20 | HC20 | 12.3° | 0.0° |
| C22 | C23 | C24 | HC24 | 3.3° | 0.0° |
| C22 | C20 | C18 | HC20 | 180.0° | 180.0° |
| C22 | C20 | C18 | C17 | 178.1° | 180.0° |
| C22 | C20 | C18 | C21 | 1.1° | 0.0° |
| C20 | C22 | C23 | HC23 | 0.2° | 0.0° |
| C20 | C18 | C17 | C21 | 179.3° | 179.9° |
| C20 | C18 | C17 | C16 | 179.3° | 180.0° |
| C20 | C18 | C17 | HC17 | 0.8° | 0.0° |
| C20 | C18 | C21 | H21A | 180.0° | 90.0° |
| C20 | C18 | C21 | H21B | 60.0° | 30.0° |
| C20 | C18 | C21 | H21C | 60.0° | 150.0° |
| C18 | C20 | C22 | HC22 | 12.4° | 0.0° |
| C18 | C17 | C16 | HC17 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 180.0° | 180.0° |
| C18 | C17 | C16 | HC16 | 0.0° | 0.1° |
| C17 | C18 | C20 | HC20 | 1.8° | 0.0° |
| C17 | C18 | C21 | H21A | 0.7° | 90.1° |
| C17 | C18 | C21 | H21B | 119.2° | 150.0° |
| C17 | C18 | C21 | H21C | 120.8° | 29.9° |
| C21 | C18 | C17 | C16 | 0.0° | 0.1° |
| C21 | C18 | C17 | HC17 | 180.0° | 180.0° |
| C21 | C18 | C20 | HC20 | 178.9° | 180.0° |
| C18 | C21 | H21A | H21B | 120.0° | 119.9° |
| C18 | C21 | H21A | H21C | 120.0° | 120.0° |
| C18 | C21 | H21B | H21C | 120.0° | 120.0° |
| C17 | C16 | C15 | HC16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 155.7° | 180.0° |
| C17 | C16 | C15 | HC15 | 24.3° | 0.0° |
| C16 | C15 | C14 | HC15 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 174.6° | 180.0° |
| C16 | C15 | C14 | C19 | 2.8° | 0.0° |
| C15 | C16 | C17 | HC17 | 0.0° | 0.0° |
| C15 | C14 | C13 | C19 | 177.5° | 180.0° |
| C15 | C14 | C13 | C8 | 176.6° | 180.0° |
| C15 | C14 | C13 | HC13 | 3.4° | 0.0° |
| C14 | C15 | C16 | HC16 | 24.3° | 0.0° |
| C15 | C14 | C19 | H19C | 180.0° | 90.0° |
| C15 | C14 | C19 | H19A | 60.0° | 30.0° |
| C15 | C14 | C19 | H19B | 60.0° | 150.0° |
| C14 | C13 | C8 | HC13 | 180.0° | 180.0° |
| C14 | C13 | C8 | C5 | 179.7° | 180.0° |
| C13 | C14 | C15 | HC15 | 5.3° | 0.0° |
| C13 | C14 | C19 | H19C | 2.6° | 89.9° |
| C13 | C14 | C19 | H19A | 122.6° | 150.0° |
| C13 | C14 | C19 | H19B | 117.4° | 30.0° |
| C14 | C13 | C8 | HC8 | 0.3° | 0.0° |
| C19 | C14 | C13 | C8 | 0.9° | 0.0° |
| C19 | C14 | C13 | HC13 | 179.0° | 180.0° |
| C19 | C14 | C15 | HC15 | 177.3° | 180.0° |
| C14 | C19 | H19C | H19A | 120.0° | 120.1° |
| C14 | C19 | H19C | H19B | 120.0° | 120.0° |
| C14 | C19 | H19A | H19B | 120.0° | 120.0° |
| C11 | C6 | C5 | O7 | 40.9° | 32.2° |
| C11 | C6 | C5 | C8 | 91.6° | 110.9° |
| C11 | C6 | C5 | C1 | 119.7° | 119.9° |
| C11 | C6 | C5 | C10 | 119.4° | 119.5° |
| C11 | C6 | C5 | C4 | 109.2° | 98.3° |
| C11 | C6 | C1 | C10 | 116.6° | 119.5° |
| C11 | C6 | C1 | C2 | 76.4° | 65.8° |
| C11 | C6 | C1 | HC1B | 162.9° | 54.1° |
| C11 | C6 | C1 | HC1A | 44.4° | 174.5° |
| C11 | C6 | C10 | H10C | 180.0° | 59.7° |
| C11 | C6 | C10 | H10A | 60.0° | 60.4° |
| C11 | C6 | C10 | H10B | 60.0° | 179.6° |
| C6 | C11 | H11C | H11B | 120.0° | 119.9° |
| C6 | C11 | H11C | H11A | 120.0° | 120.0° |
| C6 | C11 | H11B | H11A | 120.0° | 120.0° |
| C13 | C8 | C5 | O7 | 24.8° | 47.9° |
| C13 | C8 | C5 | HC8 | 180.0° | 180.0° |
| C13 | C8 | C5 | C6 | 107.7° | 94.4° |
| C13 | C8 | C5 | C4 | 92.9° | 113.7° |
| O7 | C5 | C8 | C6 | 132.4° | 142.3° |
| O7 | C5 | C8 | C4 | 68.1° | 65.8° |
| O7 | C5 | C6 | C4 | 68.3° | 66.1° |
| O7 | C5 | C6 | C1 | 78.9° | 87.7° |
| O7 | C5 | C6 | C10 | 160.3° | 151.7° |
| C5 | O7 | C4 | C9 | 113.8° | 105.7° |
| C5 | O7 | C4 | C3 | 113.9° | 108.3° |
| O7 | C5 | C8 | HC8 | 155.3° | 132.1° |
| O7 | C4 | C9 | C3 | 132.7° | 147.8° |
| O7 | C4 | C3 | C2 | 46.4° | 45.2° |
| O7 | C4 | C3 | HC3B | 73.9° | 165.5° |
| O7 | C4 | C3 | HC3A | 166.8° | 75.0° |
| O7 | C4 | C9 | HC9B | 180.0° | 113.3° |
| O7 | C4 | C9 | HC9C | 60.0° | 6.7° |
| O7 | C4 | C9 | HC9A | 60.0° | 126.7° |
| C8 | C5 | C6 | C4 | 159.2° | 150.8° |
| C8 | C5 | C6 | C1 | 148.6° | 129.2° |
| C8 | C5 | C6 | C10 | 27.8° | 8.6° |
| C8 | C5 | C4 | C9 | 0.2° | 1.1° |
| C8 | C5 | C4 | C3 | 159.3° | 144.4° |
| C5 | C8 | C13 | HC13 | 0.3° | 0.0° |
| C5 | C6 | C1 | C10 | 123.2° | 120.4° |
| C6 | C5 | C4 | C9 | 158.4° | 151.5° |
| C6 | C5 | C4 | C3 | 1.1° | 5.9° |
| C5 | C6 | C1 | C2 | 43.8° | 54.3° |
| C5 | C6 | C1 | HC1B | 76.9° | 174.1° |
| C5 | C6 | C1 | HC1A | 164.6° | 65.5° |
| C5 | C6 | C10 | H10C | 59.1° | 59.9° |
| C5 | C6 | C10 | H10A | 60.9° | 180.0° |
| C5 | C6 | C10 | H10B | 179.1° | 60.0° |
| C5 | C6 | C11 | H11C | 180.0° | 60.1° |
| C5 | C6 | C11 | H11B | 60.0° | 180.0° |
| C5 | C6 | C11 | H11A | 60.0° | 60.0° |
| C6 | C5 | C8 | HC8 | 72.3° | 85.6° |
| C4 | C5 | C6 | C1 | 10.6° | 21.7° |
| C4 | C5 | C6 | C10 | 131.4° | 142.2° |
| C5 | C4 | C9 | C3 | 161.2° | 147.3° |
| C5 | C4 | C3 | C2 | 18.8° | 22.3° |
| C5 | C4 | C3 | HC3B | 139.2° | 98.0° |
| C5 | C4 | C3 | HC3A | 101.5° | 142.5° |
| C4 | C5 | C8 | HC8 | 87.2° | 66.3° |
| C5 | C4 | C9 | HC9B | 113.9° | 178.2° |
| C5 | C4 | C9 | HC9C | 126.1° | 58.3° |
| C5 | C4 | C9 | HC9A | 6.1° | 61.7° |
| C6 | C1 | C2 | C3 | 66.6° | 74.2° |
| C6 | C1 | C2 | HC1B | 120.8° | 119.9° |
| C6 | C1 | C2 | HC1A | 120.7° | 119.8° |
| C6 | C1 | C2 | O12 | 172.5° | 166.1° |
| C6 | C1 | HC1B | HC1A | 117.7° | 120.4° |
| C6 | C1 | C2 | HC2 | 52.4° | 45.5° |
| C1 | C6 | C10 | H10C | 62.2° | 179.2° |
| C1 | C6 | C10 | H10A | 177.8° | 59.1° |
| C1 | C6 | C10 | H10B | 57.8° | 60.9° |
| C1 | C6 | C11 | H11C | 60.1° | 60.5° |
| C1 | C6 | C11 | H11B | 179.9° | 59.4° |
| C1 | C6 | C11 | H11A | 59.9° | 179.5° |
| C10 | C6 | C1 | C2 | 167.0° | 174.7° |
| C10 | C6 | C1 | HC1B | 46.2° | 65.5° |
| C10 | C6 | C1 | HC1A | 72.3° | 54.9° |
| C6 | C10 | H10C | H10A | 120.0° | 120.1° |
| C6 | C10 | H10C | H10B | 120.0° | 119.9° |
| C6 | C10 | H10A | H10B | 119.9° | 119.9° |
| C10 | C6 | C11 | H11C | 57.4° | 179.7° |
| C10 | C6 | C11 | H11B | 62.6° | 60.4° |
| C10 | C6 | C11 | H11A | 177.4° | 59.6° |
| C9 | C4 | C3 | C2 | 179.9° | 168.3° |
| C9 | C4 | C3 | HC3B | 59.5° | 48.0° |
| C9 | C4 | C3 | HC3A | 59.8° | 71.4° |
| C4 | C9 | HC9B | HC9C | 120.0° | 119.9° |
| C4 | C9 | HC9B | HC9A | 120.0° | 120.1° |
| C4 | C9 | HC9C | HC9A | 120.0° | 120.0° |
| C4 | C3 | C2 | HC3B | 120.4° | 120.3° |
| C4 | C3 | C2 | HC3A | 120.4° | 120.2° |
| C4 | C3 | C2 | C1 | 50.3° | 55.0° |
| C4 | C3 | C2 | O12 | 171.1° | 174.8° |
| C4 | C3 | C2 | HC2 | 68.7° | 64.7° |
| C4 | C3 | HC3B | HC3A | 119.0° | 119.4° |
| C3 | C4 | C9 | HC9B | 47.3° | 34.5° |
| C3 | C4 | C9 | HC9C | 72.7° | 154.4° |
| C3 | C4 | C9 | HC9A | 167.3° | 85.6° |
| C3 | C2 | C1 | O12 | 120.9° | 119.7° |
| C3 | C2 | C1 | HC2 | 118.9° | 119.7° |
| C3 | C2 | O12 | HC2 | 119.5° | 120.4° |
| C3 | C2 | C1 | HC1B | 54.2° | 165.9° |
| C3 | C2 | C1 | HC1A | 172.7° | 45.6° |
| C2 | C3 | HC3B | HC3A | 118.9° | 119.5° |
| C3 | C2 | O12 | HO12 | 180.0° | 60.1° |
| C1 | C2 | O12 | HC2 | 119.4° | 120.4° |
| C2 | C1 | HC1B | HC1A | 117.7° | 120.3° |
| C1 | C2 | C3 | HC3B | 170.6° | 65.3° |
| C1 | C2 | C3 | HC3A | 70.1° | 175.2° |
| C1 | C2 | O12 | HO12 | 58.9° | 179.2° |
| O12 | C2 | C1 | HC1B | 66.7° | 46.2° |
| O12 | C2 | C1 | HC1A | 51.8° | 74.1° |
| O12 | C2 | C3 | HC3B | 68.5° | 54.5° |
| O12 | C2 | C3 | HC3A | 50.8° | 65.0° |
| HC1B | C1 | C2 | HC2 | 173.1° | 74.4° |
| HC1A | C1 | C2 | HC2 | 68.4° | 165.3° |
| HC2 | C2 | C3 | HC3B | 51.7° | 175.0° |
| HC2 | C2 | C3 | HC3A | 171.0° | 55.5° |
| HC2 | C2 | O12 | HO12 | 60.5° | 60.4° |
| H10C | C10 | H10A | H10B | 120.0° | 120.0° |
| H11C | C11 | H11B | H11A | 120.0° | 120.1° |
| HC13 | C13 | C8 | HC8 | 179.7° | 180.0° |
| HC15 | C15 | C16 | HC16 | 155.7° | 180.0° |
| HC16 | C16 | C17 | HC17 | 180.0° | 180.0° |
| H19C | C19 | H19A | H19B | 120.0° | 119.9° |
| HC20 | C20 | C22 | HC22 | 167.6° | 180.0° |
| H21A | C21 | H21B | H21C | 120.0° | 120.1° |
| HC22 | C22 | C23 | HC23 | 179.8° | 180.0° |
| HC23 | C23 | C24 | HC24 | 176.6° | 180.0° |
| HC26 | C26 | C27 | HC27 | 179.1° | NaN° |
| HC27 | C27 | C29 | HC29 | 153.0° | 180.0° |
| H28C | C28 | H28A | H28B | 119.9° | 120.0° |
| HC31 | C31 | C33 | HC33 | 179.9° | 174.1° |
| H32A | C32 | H32B | H32C | 120.0° | 120.0° |
| H36B | C36 | C37 | HC37 | 179.5° | 171.2° |
| H36A | C36 | C37 | HC37 | 61.4° | 68.2° |
| HC37 | C37 | C38 | H38B | 172.5° | 169.9° |
| HC37 | C37 | C38 | H38A | 53.3° | 50.4° |
| HC37 | C37 | O40 | HO40 | 60.5° | 59.6° |
| H41C | C41 | H41A | H41B | 120.0° | 120.0° |
| H42A | C42 | H42C | H42B | 120.0° | 120.0° |
| H43A | C43 | H43B | H43C | 120.0° | 120.0° |
| HC9B | C9 | HC9C | HC9A | 120.0° | 120.1° |
