HZ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.57Å | 1.53Å | |
| C1 | C5 | sing | 1.55Å | 1.53Å | |
| C1 | C10 | sing | 1.47Å | 1.53Å | |
| O1 | C2 | sing | 1.45Å | 1.44Å | |
| O1 | C13 | sing | 1.34Å | 1.36Å | |
| C2 | C3 | sing | 1.55Å | 1.52Å | |
| O2 | C13 | doub | 1.21Å | 1.23Å | |
| C3 | O3 | sing | 1.45Å | 1.44Å | |
| C3 | C4 | sing | 1.56Å | 1.53Å | |
| O3 | C21 | sing | 1.35Å | 1.36Å | |
| C4 | C5 | sing | 1.50Å | 1.39Å | |
| C4 | C26 | sing | 1.53Å | 1.53Å | |
| O4 | C21 | doub | 1.22Å | 1.23Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| O5 | C6 | sing | 1.45Å | 1.44Å | |
| O5 | C12 | sing | 1.35Å | 1.36Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| O6 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.50Å | 1.53Å | |
| C7 | C11 | sing | 1.54Å | 1.53Å | |
| O7 | C8 | sing | 1.45Å | 1.44Å | |
| O7 | C27 | sing | 1.34Å | 1.36Å | |
| C8 | C9 | sing | 1.49Å | 1.53Å | |
| O8 | C27 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.54Å | 1.53Å | |
| O9 | C10 | sing | 1.45Å | 1.43Å | |
| O9 | C32 | sing | 1.34Å | 1.36Å | |
| C10 | C31 | sing | 1.53Å | 1.53Å | |
| O10 | C32 | doub | 1.21Å | 1.23Å | |
| C11 | O11 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.52Å | 1.53Å | |
| C11 | C34 | sing | 1.53Å | 1.53Å | |
| C12 | O12 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.47Å | 1.53Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | C24 | doub | 1.33Å | 1.39Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C27 | C28 | sing | 1.51Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C56 | sing | 1.51Å | 1.53Å | |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | C43 | sing | 1.53Å | 1.53Å | |
| C41 | O44 | sing | 1.45Å | 1.43Å | |
| O44 | C45 | sing | 1.35Å | 1.36Å | |
| C45 | O46 | doub | 1.22Å | 1.23Å | |
| C45 | N47 | sing | 1.35Å | 1.33Å | |
| N47 | C48 | sing | 1.47Å | 1.47Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C49 | C50 | sing | 1.53Å | 1.53Å | |
| C50 | C51 | sing | 1.53Å | 1.53Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C53 | C54 | sing | 1.51Å | 1.54Å | |
| C54 | C55 | doub | 1.38Å | 1.39Å | Aromatic |
| C54 | C59 | sing | 1.39Å | 1.39Å | Aromatic |
| C55 | C56 | sing | 1.38Å | 1.39Å | Aromatic |
| C56 | C57 | doub | 1.38Å | 1.39Å | Aromatic |
| C57 | C58 | sing | 1.38Å | 1.39Å | Aromatic |
| C58 | C59 | doub | 1.39Å | 1.40Å | Aromatic |
| C59 | O60 | sing | 1.36Å | 1.36Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| 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 | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | 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 | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | 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 | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C42 | H42B | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å | |
| N47 | HN47 | sing | 0.97Å | 1.00Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C58 | H58 | sing | 1.08Å | 1.08Å | |
| O60 | HO60 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 105.9° | 98.1° |
| C2 | C1 | C10 | 109.8° | 113.6° |
| C1 | C2 | O1 | 114.3° | 110.5° |
| C1 | C2 | C3 | 107.6° | 104.2° |
| C2 | C1 | H1 | 111.9° | 108.0° |
| C1 | C2 | H2 | 107.9° | 110.5° |
| C5 | C1 | C10 | 110.4° | 120.1° |
| C1 | C5 | C4 | 109.7° | 103.0° |
| C1 | C5 | C6 | 128.9° | 108.4° |
| C5 | C1 | H1 | 111.4° | 108.2° |
| C1 | C5 | H5 | 102.2° | 105.6° |
| C1 | C10 | C9 | 113.2° | 109.3° |
| C1 | C10 | O9 | 103.8° | 109.4° |
| C1 | C10 | C31 | 109.7° | 109.4° |
| C10 | C1 | H1 | 107.5° | 107.9° |
| C2 | O1 | C13 | 110.7° | 117.0° |
| O1 | C2 | C3 | 110.7° | 110.5° |
| O1 | C2 | H2 | 104.6° | 110.4° |
| O1 | C13 | O2 | 118.9° | 120.0° |
| O1 | C13 | C14 | 120.2° | 120.0° |
| C2 | C3 | O3 | 110.0° | 110.0° |
| C2 | C3 | C4 | 105.3° | 106.5° |
| C3 | C2 | H2 | 111.7° | 110.6° |
| C2 | C3 | H3 | 111.6° | 110.1° |
| O2 | C13 | C14 | 120.8° | 120.0° |
| O3 | C3 | C4 | 108.8° | 110.0° |
| C3 | O3 | C21 | 110.2° | 117.0° |
| O3 | C3 | H3 | 108.3° | 110.1° |
| C3 | C4 | C5 | 111.4° | 100.7° |
| C3 | C4 | C26 | 124.3° | 111.2° |
| C4 | C3 | H3 | 112.8° | 110.1° |
| C3 | C4 | H4 | 123.4° | 111.2° |
| O3 | C21 | O4 | 119.5° | 120.0° |
| O3 | C21 | C22 | 119.8° | 120.0° |
| C5 | C4 | C26 | 124.2° | 111.2° |
| C4 | C5 | C6 | 121.4° | 125.6° |
| C5 | C4 | H4 | 123.9° | 111.2° |
| C4 | C5 | H5 | 148.0° | 106.6° |
| C4 | C26 | H26 | 109.5° | 109.5° |
| C4 | C26 | H26A | 109.5° | 109.5° |
| C4 | C26 | H26B | 109.5° | 109.5° |
| C26 | C4 | H4 | 11.5° | 111.0° |
| O4 | C21 | C22 | 120.7° | 120.0° |
| C5 | C6 | O5 | 112.5° | 113.7° |
| C5 | C6 | C7 | 113.3° | 108.4° |
| C5 | C6 | H6 | 102.7° | 109.7° |
| C6 | C5 | H5 | 26.7° | 106.2° |
| C6 | O5 | C12 | 104.5° | 107.6° |
| O5 | C6 | C7 | 102.7° | 105.3° |
| O5 | C6 | H6 | 113.4° | 109.9° |
| O5 | C12 | C11 | 111.2° | 108.2° |
| O5 | C12 | O12 | 124.2° | 125.9° |
| C6 | C7 | O6 | 110.6° | 110.9° |
| C6 | C7 | C8 | 112.7° | 107.5° |
| C6 | C7 | C11 | 99.9° | 103.2° |
| C7 | C6 | H6 | 112.6° | 109.8° |
| O6 | C7 | C8 | 109.2° | 110.7° |
| O6 | C7 | C11 | 108.1° | 110.8° |
| C7 | O6 | HO6 | 109.5° | 114.0° |
| C8 | C7 | C11 | 116.0° | 113.4° |
| C7 | C8 | O7 | 114.0° | 108.2° |
| C7 | C8 | C9 | 110.7° | 116.1° |
| C7 | C8 | H8 | 107.0° | 108.2° |
| C7 | C11 | O11 | 111.0° | 110.4° |
| C7 | C11 | C12 | 100.1° | 104.3° |
| C7 | C11 | C34 | 112.5° | 110.5° |
| C8 | O7 | C27 | 112.9° | 117.0° |
| O7 | C8 | C9 | 113.9° | 108.1° |
| O7 | C8 | H8 | 103.3° | 108.1° |
| O7 | C27 | O8 | 119.7° | 120.0° |
| O7 | C27 | C28 | 120.0° | 120.0° |
| C8 | C9 | C10 | 116.6° | 105.6° |
| C9 | C8 | H8 | 107.1° | 107.9° |
| C8 | C9 | H9 | 107.1° | 110.2° |
| C8 | C9 | H9A | 107.2° | 110.2° |
| O8 | C27 | C28 | 120.3° | 120.0° |
| C9 | C10 | O9 | 109.0° | 109.1° |
| C9 | C10 | C31 | 110.4° | 110.2° |
| C10 | C9 | H9 | 107.1° | 111.0° |
| C10 | C9 | H9A | 107.1° | 109.5° |
| C10 | O9 | C32 | 115.5° | 117.0° |
| O9 | C10 | C31 | 110.6° | 109.4° |
| O9 | C32 | O10 | 120.9° | 120.0° |
| O9 | C32 | C33 | 118.9° | 120.0° |
| C10 | C31 | H31 | 109.5° | 109.5° |
| C10 | C31 | H31A | 109.5° | 109.4° |
| C10 | C31 | H31B | 109.4° | 109.5° |
| O10 | C32 | C33 | 120.2° | 119.9° |
| O11 | C11 | C12 | 110.1° | 110.5° |
| O11 | C11 | C34 | 111.6° | 110.4° |
| C11 | O11 | HO11 | 109.5° | 113.9° |
| C12 | C11 | C34 | 110.9° | 110.6° |
| C11 | C12 | O12 | 124.6° | 125.9° |
| C11 | C34 | H34 | 109.5° | 109.5° |
| C11 | C34 | H34A | 109.5° | 109.5° |
| C11 | C34 | H34B | 109.5° | 109.5° |
| C13 | C14 | C15 | 114.0° | 109.4° |
| C13 | C14 | H14 | 108.0° | 109.5° |
| C13 | C14 | H14A | 108.0° | 109.4° |
| C14 | C15 | C16 | 113.0° | 109.5° |
| C15 | C14 | H14 | 108.0° | 109.5° |
| C15 | C14 | H14A | 108.0° | 109.5° |
| C14 | C15 | H15 | 108.3° | 109.5° |
| C14 | C15 | H15A | 108.3° | 109.5° |
| C15 | C16 | C17 | 111.4° | 109.5° |
| C16 | C15 | H15 | 108.3° | 109.4° |
| C16 | C15 | H15A | 108.3° | 109.4° |
| C15 | C16 | H16 | 108.8° | 109.5° |
| C15 | C16 | H16A | 108.8° | 109.5° |
| C16 | C17 | C18 | 111.7° | 109.5° |
| C17 | C16 | H16 | 108.8° | 109.5° |
| C17 | C16 | H16A | 108.8° | 109.4° |
| C16 | C17 | H17 | 108.8° | 109.5° |
| C16 | C17 | H17A | 108.7° | 109.5° |
| C17 | C18 | C19 | 110.9° | 109.5° |
| C18 | C17 | H17 | 108.7° | 109.5° |
| C18 | C17 | H17A | 108.8° | 109.4° |
| C17 | C18 | H18 | 109.0° | 109.5° |
| C17 | C18 | H18A | 109.0° | 109.5° |
| C18 | C19 | C20 | 110.4° | 109.5° |
| C19 | C18 | H18 | 109.0° | 109.4° |
| C19 | C18 | H18A | 109.0° | 109.5° |
| C18 | C19 | H19 | 109.2° | 109.5° |
| C18 | C19 | H19A | 109.2° | 109.5° |
| C20 | C19 | H19 | 109.2° | 109.4° |
| C20 | C19 | H19A | 109.2° | 109.5° |
| C19 | C20 | H20 | 109.5° | 109.5° |
| C19 | C20 | H20A | 109.5° | 109.5° |
| C19 | C20 | H20B | 109.4° | 109.5° |
| C21 | C22 | C23 | 119.6° | 120.0° |
| C21 | C22 | C24 | 120.7° | 120.0° |
| C23 | C22 | C24 | 119.7° | 120.0° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C23 | H23A | 109.4° | 109.5° |
| C22 | C23 | H23B | 109.5° | 109.5° |
| C22 | C24 | C25 | 120.7° | 120.0° |
| C22 | C24 | H24 | 119.7° | 120.0° |
| C25 | C24 | H24 | 119.6° | 120.0° |
| C24 | C25 | H25 | 109.5° | 109.4° |
| C24 | C25 | H25A | 109.4° | 109.5° |
| C24 | C25 | H25B | 109.4° | 109.4° |
| C27 | C28 | C29 | 112.3° | 109.5° |
| C27 | C28 | H28 | 108.5° | 109.4° |
| C27 | C28 | H28A | 108.5° | 109.5° |
| C28 | C29 | C30 | 112.9° | 109.5° |
| C29 | C28 | H28 | 108.5° | 109.5° |
| C29 | C28 | H28A | 108.5° | 109.5° |
| C28 | C29 | H29 | 108.3° | 109.5° |
| C28 | C29 | H29A | 108.4° | 109.5° |
| C29 | C30 | C56 | 110.4° | 109.5° |
| C30 | C29 | H29 | 108.4° | 109.5° |
| C30 | C29 | H29A | 108.3° | 109.4° |
| C29 | C30 | H30 | 109.2° | 109.5° |
| C29 | C30 | H30A | 109.2° | 109.5° |
| C30 | C56 | C55 | 120.4° | 119.9° |
| C30 | C56 | C57 | 119.9° | 120.0° |
| C56 | C30 | H30 | 109.2° | 109.5° |
| C56 | C30 | H30A | 109.2° | 109.4° |
| C32 | C33 | H33 | 109.5° | 109.4° |
| C32 | C33 | H33A | 109.5° | 109.5° |
| C32 | C33 | H33B | 109.5° | 109.5° |
| C40 | C41 | C42 | 109.1° | 109.4° |
| C40 | C41 | C43 | 109.2° | 109.5° |
| C40 | C41 | O44 | 108.0° | 109.5° |
| C41 | C40 | H40 | 109.5° | 109.4° |
| C41 | C40 | H40A | 109.5° | 109.5° |
| C41 | C40 | H40B | 109.5° | 109.5° |
| C42 | C41 | C43 | 110.8° | 109.5° |
| C42 | C41 | O44 | 109.9° | 109.5° |
| C41 | C42 | H42 | 109.5° | 109.5° |
| C41 | C42 | H42A | 109.5° | 109.4° |
| C41 | C42 | H42B | 109.5° | 109.5° |
| C43 | C41 | O44 | 109.8° | 109.5° |
| C41 | C43 | H43 | 109.5° | 109.5° |
| C41 | C43 | H43A | 109.5° | 109.5° |
| C41 | C43 | H43B | 109.5° | 109.5° |
| C41 | O44 | C45 | 114.7° | 117.0° |
| O44 | C45 | O46 | 117.6° | 120.0° |
| O44 | C45 | N47 | 119.9° | 120.0° |
| O46 | C45 | N47 | 122.4° | 120.0° |
| C45 | N47 | C48 | 125.0° | 120.0° |
| C45 | N47 | HN47 | 117.5° | 120.0° |
| N47 | C48 | C49 | 113.6° | 109.4° |
| C48 | N47 | HN47 | 117.5° | 120.0° |
| N47 | C48 | H48 | 108.1° | 109.4° |
| N47 | C48 | H48A | 108.1° | 109.5° |
| C48 | C49 | C50 | 111.6° | 109.5° |
| C49 | C48 | H48 | 108.1° | 109.5° |
| C49 | C48 | H48A | 108.1° | 109.5° |
| C48 | C49 | H49 | 108.8° | 109.5° |
| C48 | C49 | H49A | 108.8° | 109.5° |
| C49 | C50 | C51 | 110.8° | 109.5° |
| C50 | C49 | H49 | 108.8° | 109.4° |
| C50 | C49 | H49A | 108.8° | 109.5° |
| C49 | C50 | H50 | 109.0° | 109.4° |
| C49 | C50 | H50A | 109.0° | 109.4° |
| C50 | C51 | C52 | 110.2° | 109.4° |
| C51 | C50 | H50 | 109.0° | 109.5° |
| C51 | C50 | H50A | 109.0° | 109.4° |
| C50 | C51 | H51 | 109.2° | 109.5° |
| C50 | C51 | H51A | 109.2° | 109.5° |
| C51 | C52 | C53 | 113.2° | 109.5° |
| C52 | C51 | H51 | 109.2° | 109.5° |
| C52 | C51 | H51A | 109.2° | 109.4° |
| C51 | C52 | H52 | 108.3° | 109.5° |
| C51 | C52 | H52A | 108.3° | 109.4° |
| C52 | C53 | C54 | 116.1° | 109.5° |
| C53 | C52 | H52 | 108.3° | 109.5° |
| C53 | C52 | H52A | 108.2° | 109.5° |
| C52 | C53 | H53 | 107.3° | 109.4° |
| C52 | C53 | H53A | 107.3° | 109.5° |
| C53 | C54 | C55 | 115.3° | 120.1° |
| C53 | C54 | C59 | 126.4° | 120.0° |
| C54 | C53 | H53 | 107.3° | 109.5° |
| C54 | C53 | H53A | 107.3° | 109.5° |
| C55 | C54 | C59 | 118.1° | 119.9° |
| C54 | C55 | C56 | 121.6° | 120.1° |
| C54 | C55 | H55 | 119.2° | 119.9° |
| C54 | C59 | C58 | 120.9° | 119.9° |
| C54 | C59 | O60 | 120.5° | 120.0° |
| C55 | C56 | C57 | 119.7° | 120.1° |
| C56 | C55 | H55 | 119.2° | 120.0° |
| C56 | C57 | C58 | 119.4° | 120.1° |
| C56 | C57 | H57 | 120.3° | 120.0° |
| C57 | C58 | C59 | 120.4° | 120.0° |
| C58 | C57 | H57 | 120.3° | 120.0° |
| C57 | C58 | H58 | 119.8° | 120.0° |
| C58 | C59 | O60 | 118.6° | 120.1° |
| C59 | C58 | H58 | 119.8° | 120.0° |
| C59 | O60 | HO60 | 109.5° | 114.0° |
| H9 | C9 | H9A | 111.7° | 110.3° |
| H14 | C14 | H14A | 110.9° | 109.5° |
| H15 | C15 | H15A | 110.6° | 109.5° |
| H16 | C16 | H16A | 110.1° | 109.5° |
| H17 | C17 | H17A | 110.2° | 109.5° |
| H18 | C18 | H18A | 109.9° | 109.5° |
| H19 | C19 | H19A | 109.8° | 109.4° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H20 | C20 | H20B | 109.4° | 109.4° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| H23 | C23 | H23B | 109.5° | 109.4° |
| H23A | C23 | H23B | 109.5° | 109.4° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H25 | C25 | H25B | 109.5° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.4° | 109.5° |
| H26 | C26 | H26B | 109.5° | 109.4° |
| H26A | C26 | H26B | 109.5° | 109.4° |
| H28 | C28 | H28A | 110.4° | 109.5° |
| H29 | C29 | H29A | 110.6° | 109.4° |
| H30 | C30 | H30A | 109.7° | 109.5° |
| H31 | C31 | H31A | 109.4° | 109.5° |
| H31 | C31 | H31B | 109.5° | 109.5° |
| H31A | C31 | H31B | 109.5° | 109.5° |
| H33 | C33 | H33A | 109.5° | 109.5° |
| H33 | C33 | H33B | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.5° |
| H34 | C34 | H34B | 109.5° | 109.4° |
| H34A | C34 | H34B | 109.5° | 109.4° |
| H40 | C40 | H40A | 109.5° | 109.5° |
| H40 | C40 | H40B | 109.5° | 109.5° |
| H40A | C40 | H40B | 109.5° | 109.5° |
| H42 | C42 | H42A | 109.5° | 109.4° |
| H42 | C42 | H42B | 109.5° | 109.5° |
| H42A | C42 | H42B | 109.5° | 109.5° |
| H43 | C43 | H43A | 109.4° | 109.4° |
| H43 | C43 | H43B | 109.4° | 109.4° |
| H43A | C43 | H43B | 109.5° | 109.5° |
| H48 | C48 | H48A | 110.8° | 109.5° |
| H49 | C49 | H49A | 110.2° | 109.5° |
| H50 | C50 | H50A | 109.9° | 109.5° |
| H51 | C51 | H51A | 109.7° | 109.5° |
| H52 | C52 | H52A | 110.6° | 109.5° |
| H53 | C53 | H53A | 111.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | C10 | 118.9° | 123.4° |
| C2 | C1 | C5 | H1 | 121.8° | 112.1° |
| C2 | C1 | C10 | H1 | 121.9° | 119.8° |
| C1 | C2 | O1 | C3 | 121.7° | 114.7° |
| C1 | C2 | O1 | H2 | 117.8° | 122.5° |
| C1 | C2 | O1 | C13 | 142.3° | 150.0° |
| C1 | C2 | C3 | H2 | 118.3° | 118.7° |
| C1 | C2 | C3 | O3 | 118.1° | 128.1° |
| C1 | C2 | C3 | C4 | 1.1° | 9.0° |
| C2 | C1 | C5 | C4 | 3.4° | 52.3° |
| C2 | C1 | C5 | C6 | 177.0° | 172.8° |
| C2 | C1 | C10 | C9 | 167.5° | 145.8° |
| C2 | C1 | C10 | O9 | 49.5° | 26.4° |
| C2 | C1 | C10 | C31 | 68.7° | 93.4° |
| C1 | C2 | C3 | H3 | 121.7° | 110.4° |
| C2 | C1 | C5 | H5 | 174.9° | 59.4° |
| C5 | C1 | C10 | H1 | 121.6° | 124.6° |
| C5 | C1 | C2 | O1 | 126.1° | 154.6° |
| C5 | C1 | C2 | C3 | 2.7° | 35.9° |
| C1 | C5 | C4 | C3 | 2.8° | 46.9° |
| C1 | C5 | C4 | C6 | 179.7° | 124.4° |
| C1 | C5 | C4 | H5 | 176.8° | 110.9° |
| C1 | C5 | C4 | C26 | 175.6° | 71.0° |
| C1 | C5 | C6 | H5 | 4.6° | 113.1° |
| C1 | C5 | C6 | O5 | 120.1° | 153.8° |
| C1 | C5 | C6 | C7 | 4.2° | 37.2° |
| C5 | C1 | C10 | C9 | 76.1° | 98.6° |
| C5 | C1 | C10 | O9 | 165.9° | 142.0° |
| C5 | C1 | C10 | C31 | 47.7° | 22.2° |
| C5 | C1 | C2 | H2 | 118.1° | 82.9° |
| C1 | C5 | C6 | H6 | 117.6° | 82.7° |
| C1 | C5 | C4 | H4 | 170.5° | 164.8° |
| C10 | C1 | C2 | O1 | 114.7° | 77.4° |
| C10 | C1 | C2 | C3 | 121.9° | 163.9° |
| C10 | C1 | C5 | C4 | 122.3° | 175.7° |
| C10 | C1 | C5 | C6 | 58.1° | 49.4° |
| C1 | C10 | C9 | C8 | 71.2° | 68.6° |
| C1 | C10 | C9 | O9 | 114.9° | 119.6° |
| C1 | C10 | C9 | C31 | 123.5° | 120.3° |
| C1 | C10 | O9 | C31 | 117.6° | 119.8° |
| C1 | C10 | O9 | C32 | 175.1° | 180.0° |
| C10 | C1 | C2 | H2 | 1.2° | 45.1° |
| C1 | C10 | C9 | H9 | 48.8° | 50.8° |
| C1 | C10 | C9 | H9A | 168.8° | 172.8° |
| C1 | C10 | C31 | H31 | 180.0° | 92.5° |
| C1 | C10 | C31 | H31A | 60.0° | 147.6° |
| C1 | C10 | C31 | H31B | 60.0° | 27.6° |
| C10 | C1 | C5 | H5 | 56.0° | 64.1° |
| O1 | C2 | C3 | H2 | 116.1° | 122.6° |
| C2 | O1 | C13 | O2 | 8.4° | 0.0° |
| O1 | C2 | C3 | O3 | 116.3° | 113.2° |
| O1 | C2 | C3 | C4 | 126.7° | 127.6° |
| C2 | O1 | C13 | C14 | 175.9° | 180.0° |
| O1 | C2 | C1 | H1 | 4.6° | 42.3° |
| O1 | C2 | C3 | H3 | 3.9° | 8.3° |
| C13 | O1 | C2 | C3 | 96.0° | 95.3° |
| O1 | C13 | O2 | C14 | 175.7° | 180.0° |
| O1 | C13 | C14 | C15 | 173.6° | 180.0° |
| C13 | O1 | C2 | H2 | 24.5° | 27.4° |
| O1 | C13 | C14 | H14 | 53.6° | 60.0° |
| O1 | C13 | C14 | H14A | 66.4° | 60.0° |
| C2 | C3 | O3 | C4 | 114.8° | 117.0° |
| C2 | C3 | O3 | H3 | 122.2° | 121.5° |
| C2 | C3 | C4 | H3 | 122.0° | 119.3° |
| C2 | C3 | O3 | C21 | 94.2° | 91.5° |
| C2 | C3 | C4 | C5 | 1.1° | 22.8° |
| C2 | C3 | C4 | C26 | 177.3° | 95.1° |
| C3 | C2 | C1 | H1 | 118.8° | 76.3° |
| C2 | C3 | C4 | H4 | 168.8° | 140.7° |
| O2 | C13 | C14 | C15 | 10.7° | 0.0° |
| O2 | C13 | C14 | H14 | 130.7° | 120.0° |
| O2 | C13 | C14 | H14A | 109.3° | 120.0° |
| O3 | C3 | C4 | H3 | 120.2° | 121.5° |
| O3 | C3 | C4 | C5 | 116.8° | 96.4° |
| O3 | C3 | C4 | C26 | 64.8° | 145.8° |
| C3 | O3 | C21 | O4 | 4.3° | 0.0° |
| C3 | O3 | C21 | C22 | 177.8° | 180.0° |
| O3 | C3 | C2 | H2 | 0.2° | 9.4° |
| O3 | C3 | C4 | H4 | 50.9° | 21.5° |
| C4 | C3 | O3 | C21 | 151.0° | 151.5° |
| C3 | C4 | C5 | C26 | 178.4° | 117.8° |
| C3 | C4 | C5 | H4 | 167.7° | 117.9° |
| C3 | C4 | C26 | H4 | 89.5° | 124.4° |
| C3 | C4 | C5 | C6 | 177.5° | 171.2° |
| C4 | C3 | C2 | H2 | 117.2° | 109.8° |
| C3 | C4 | C26 | H26 | 180.0° | 71.1° |
| C3 | C4 | C26 | H26A | 60.0° | 168.9° |
| C3 | C4 | C26 | H26B | 60.0° | 48.9° |
| C3 | C4 | C5 | H5 | 174.0° | 64.0° |
| O3 | C21 | O4 | C22 | 177.9° | 179.9° |
| O3 | C21 | C22 | C23 | 173.9° | 0.0° |
| O3 | C21 | C22 | C24 | 5.9° | 180.0° |
| C21 | O3 | C3 | H3 | 28.0° | 30.0° |
| C5 | C4 | C26 | H4 | 92.3° | 124.4° |
| C4 | C5 | C6 | H5 | 175.8° | 124.9° |
| C4 | C5 | C6 | O5 | 59.5° | 31.8° |
| C4 | C5 | C6 | C7 | 175.4° | 84.9° |
| C4 | C5 | C1 | H1 | 118.4° | 59.8° |
| C5 | C4 | C3 | H3 | 123.0° | 142.1° |
| C4 | C5 | C6 | H6 | 62.8° | 155.3° |
| C5 | C4 | C26 | H26 | 1.8° | 177.6° |
| C5 | C4 | C26 | H26A | 118.2° | 57.6° |
| C5 | C4 | C26 | H26B | 121.8° | 62.4° |
| C26 | C4 | C5 | C6 | 4.1° | 53.4° |
| C26 | C4 | C3 | H3 | 55.4° | 24.3° |
| C4 | C26 | H26 | H26A | 120.0° | 120.1° |
| C4 | C26 | H26 | H26B | 120.0° | 120.0° |
| C4 | C26 | H26A | H26B | 120.0° | 120.0° |
| C26 | C4 | C5 | H5 | 7.6° | 178.1° |
| O4 | C21 | C22 | C23 | 8.2° | 179.9° |
| O4 | C21 | C22 | C24 | 171.9° | 0.1° |
| C5 | C6 | O5 | C7 | 122.2° | 118.5° |
| C5 | C6 | O5 | H6 | 116.1° | 123.4° |
| C5 | C6 | O5 | C12 | 164.1° | 152.8° |
| C5 | C6 | C7 | H6 | 116.1° | 119.8° |
| C5 | C6 | C7 | O6 | 53.8° | 24.5° |
| C5 | C6 | C7 | C8 | 68.7° | 96.7° |
| C5 | C6 | C7 | C11 | 167.5° | 143.2° |
| C6 | C5 | C1 | H1 | 61.2° | 75.1° |
| C6 | C5 | C4 | H4 | 9.8° | 70.9° |
| O5 | C6 | C7 | H6 | 122.3° | 118.2° |
| O5 | C6 | C7 | O6 | 67.8° | 97.5° |
| O5 | C6 | C7 | C8 | 169.6° | 141.3° |
| O5 | C6 | C7 | C11 | 45.9° | 21.2° |
| C6 | O5 | C12 | C11 | 21.2° | 32.9° |
| C6 | O5 | C12 | O12 | 160.7° | 147.1° |
| O5 | C6 | C5 | H5 | 124.7° | 93.1° |
| C12 | O5 | C6 | C7 | 41.9° | 34.4° |
| O5 | C12 | C11 | C7 | 7.9° | 18.1° |
| O5 | C12 | C11 | O11 | 109.0° | 136.8° |
| O5 | C12 | C11 | O12 | 178.1° | 180.0° |
| O5 | C12 | C11 | C34 | 126.9° | 100.7° |
| C12 | O5 | C6 | H6 | 79.9° | 83.8° |
| C6 | C7 | O6 | C8 | 124.6° | 119.3° |
| C6 | C7 | O6 | C11 | 108.4° | 114.0° |
| C6 | C7 | C8 | C11 | 114.3° | 113.4° |
| C6 | C7 | C8 | O7 | 43.4° | 30.8° |
| C6 | C7 | C8 | C9 | 86.6° | 90.9° |
| C6 | C7 | C11 | O11 | 84.8° | 115.8° |
| C6 | C7 | C11 | C12 | 31.4° | 2.9° |
| C6 | C7 | C11 | C34 | 149.3° | 121.7° |
| C6 | C7 | O6 | HO6 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8 | 157.0° | 147.6° |
| C7 | C6 | C5 | H5 | 8.8° | 150.2° |
| O6 | C7 | C8 | C11 | 122.4° | 125.3° |
| O6 | C7 | C8 | O7 | 166.7° | 152.1° |
| O6 | C7 | C8 | C9 | 36.8° | 30.4° |
| O6 | C7 | C11 | O11 | 159.6° | 125.4° |
| O6 | C7 | C11 | C12 | 84.2° | 115.9° |
| O6 | C7 | C11 | C34 | 33.7° | 2.9° |
| O6 | C7 | C6 | H6 | 169.9° | 144.3° |
| O6 | C7 | C8 | H8 | 79.7° | 91.1° |
| C7 | C8 | O7 | C9 | 128.4° | 126.6° |
| C7 | C8 | O7 | H8 | 115.8° | 116.9° |
| C7 | C8 | O7 | C27 | 97.5° | 150.0° |
| C7 | C8 | C9 | H8 | 116.4° | 121.6° |
| C7 | C8 | C9 | C10 | 71.2° | 61.5° |
| C8 | C7 | C11 | O11 | 36.6° | 0.2° |
| C8 | C7 | C11 | C12 | 152.9° | 118.9° |
| C8 | C7 | C11 | C34 | 89.3° | 122.3° |
| C8 | C7 | C6 | H6 | 47.3° | 23.1° |
| C8 | C7 | O6 | HO6 | 55.4° | 60.8° |
| C7 | C8 | C9 | H9 | 48.7° | 58.5° |
| C7 | C8 | C9 | H9A | 168.8° | 179.7° |
| C11 | C7 | C8 | O7 | 70.9° | 82.6° |
| C11 | C7 | C8 | C9 | 159.1° | 155.6° |
| C7 | C11 | O11 | C12 | 109.9° | 114.9° |
| C7 | C11 | O11 | C34 | 126.4° | 122.5° |
| C7 | C11 | C12 | C34 | 119.0° | 118.8° |
| C7 | C11 | C12 | O12 | 170.2° | 161.9° |
| C11 | C7 | C6 | H6 | 76.4° | 97.0° |
| C11 | C7 | O6 | HO6 | 71.6° | 66.0° |
| C11 | C7 | C8 | H8 | 42.7° | 34.2° |
| C7 | C11 | O11 | HO11 | 52.6° | 180.0° |
| C7 | C11 | C34 | H34 | 180.0° | 59.9° |
| C7 | C11 | C34 | H34A | 60.0° | 180.0° |
| C7 | C11 | C34 | H34B | 60.0° | 60.0° |
| O7 | C8 | C9 | H8 | 113.6° | 116.7° |
| C8 | O7 | C27 | O8 | 3.6° | 0.0° |
| O7 | C8 | C9 | C10 | 58.8° | 60.2° |
| C8 | O7 | C27 | C28 | 179.1° | 180.0° |
| O7 | C8 | C9 | H9 | 178.8° | 179.8° |
| O7 | C8 | C9 | H9A | 61.2° | 57.9° |
| C27 | O7 | C8 | C9 | 134.1° | 83.4° |
| O7 | C27 | O8 | C28 | 177.3° | 180.0° |
| O7 | C27 | C28 | C29 | 176.4° | 180.0° |
| C27 | O7 | C8 | H8 | 18.3° | 33.1° |
| O7 | C27 | C28 | H28 | 56.3° | 60.0° |
| O7 | C27 | C28 | H28A | 63.6° | 60.0° |
| C8 | C9 | C10 | H9 | 120.0° | 119.4° |
| C8 | C9 | C10 | H9A | 120.0° | 118.6° |
| C8 | C9 | C10 | O9 | 173.8° | 171.8° |
| C8 | C9 | C10 | C31 | 52.2° | 51.7° |
| C8 | C9 | H9 | H9A | 117.1° | 121.8° |
| O8 | C27 | C28 | C29 | 6.3° | 0.0° |
| O8 | C27 | C28 | H28 | 126.4° | 120.0° |
| O8 | C27 | C28 | H28A | 113.7° | 120.0° |
| C9 | C10 | O9 | C31 | 121.5° | 120.6° |
| C9 | C10 | O9 | C32 | 64.0° | 60.4° |
| C9 | C10 | C1 | H1 | 45.6° | 26.1° |
| C10 | C9 | C8 | H8 | 172.4° | 176.9° |
| C10 | C9 | H9 | H9A | 117.0° | 121.5° |
| C9 | C10 | C31 | H31 | 54.5° | 147.3° |
| C9 | C10 | C31 | H31A | 65.5° | 27.3° |
| C9 | C10 | C31 | H31B | 174.6° | 92.7° |
| C10 | O9 | C32 | O10 | 3.0° | 0.1° |
| C10 | O9 | C32 | C33 | 173.3° | 180.0° |
| O9 | C10 | C1 | H1 | 72.4° | 93.4° |
| O9 | C10 | C9 | H9 | 66.2° | 68.8° |
| O9 | C10 | C9 | H9A | 53.8° | 53.2° |
| O9 | C10 | C31 | H31 | 66.1° | 27.3° |
| O9 | C10 | C31 | H31A | 173.9° | 92.6° |
| O9 | C10 | C31 | H31B | 53.9° | 147.4° |
| C32 | O9 | C10 | C31 | 57.5° | 60.2° |
| O9 | C32 | O10 | C33 | 176.3° | 180.0° |
| O9 | C32 | C33 | H33 | 176.4° | 0.1° |
| O9 | C32 | C33 | H33A | 63.6° | 120.0° |
| O9 | C32 | C33 | H33B | 56.4° | 120.0° |
| C31 | C10 | C1 | H1 | 169.4° | 146.8° |
| C31 | C10 | C9 | H9 | 172.2° | 171.1° |
| C31 | C10 | C9 | H9A | 67.8° | 66.9° |
| C10 | C31 | H31 | H31A | 120.0° | 119.9° |
| C10 | C31 | H31 | H31B | 120.0° | 120.0° |
| C10 | C31 | H31A | H31B | 120.0° | 120.0° |
| O10 | C32 | C33 | H33 | 0.0° | 180.0° |
| O10 | C32 | C33 | H33A | 120.0° | 60.0° |
| O10 | C32 | C33 | H33B | 120.0° | 60.0° |
| O11 | C11 | C12 | C34 | 124.0° | 122.6° |
| O11 | C11 | C12 | O12 | 72.8° | 43.2° |
| O11 | C11 | C34 | H34 | 54.4° | 177.6° |
| O11 | C11 | C34 | H34A | 65.6° | 57.5° |
| O11 | C11 | C34 | H34B | 174.4° | 62.5° |
| C12 | C11 | O11 | HO11 | 162.6° | 65.1° |
| C12 | C11 | C34 | H34 | 68.7° | 55.0° |
| C12 | C11 | C34 | H34A | 171.3° | 65.1° |
| C12 | C11 | C34 | H34B | 51.3° | 175.0° |
| C34 | C11 | C12 | O12 | 51.2° | 79.3° |
| C34 | C11 | O11 | HO11 | 73.8° | 57.6° |
| C11 | C34 | H34 | H34A | 120.0° | 120.1° |
| C11 | C34 | H34 | H34B | 120.0° | 120.0° |
| C11 | C34 | H34A | H34B | 120.0° | 120.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 95.3° | 180.0° |
| C13 | C14 | H14 | H14A | 118.1° | 120.0° |
| C13 | C14 | C15 | H15 | 144.8° | 60.0° |
| C13 | C14 | C15 | H15A | 24.7° | 60.0° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 120.0° | 120.1° |
| C14 | C15 | C16 | C17 | 173.8° | 180.0° |
| C15 | C14 | H14 | H14A | 118.1° | 120.1° |
| C14 | C15 | H15 | H15A | 118.6° | 120.1° |
| C14 | C15 | C16 | H16 | 66.2° | 60.0° |
| C14 | C15 | C16 | H16A | 53.8° | 60.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 120.0° | 120.0° |
| C15 | C16 | C17 | C18 | 171.4° | 180.0° |
| C16 | C15 | C14 | H14 | 24.8° | 60.0° |
| C16 | C15 | C14 | H14A | 144.7° | 60.0° |
| C16 | C15 | H15 | H15A | 118.5° | 119.9° |
| C15 | C16 | H16 | H16A | 119.2° | 120.0° |
| C15 | C16 | C17 | H17 | 51.4° | 60.0° |
| C15 | C16 | C17 | H17A | 68.5° | 60.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 120.0° | 120.0° |
| C16 | C17 | C18 | C19 | 176.1° | 179.9° |
| C17 | C16 | C15 | H15 | 53.8° | 60.0° |
| C17 | C16 | C15 | H15A | 66.2° | 60.0° |
| C17 | C16 | H16 | H16A | 119.2° | 119.9° |
| C16 | C17 | H17 | H17A | 119.1° | 120.0° |
| C16 | C17 | C18 | H18 | 63.8° | 60.0° |
| C16 | C17 | C18 | H18A | 56.2° | 60.0° |
| C17 | C18 | C19 | H18 | 120.0° | 120.0° |
| C17 | C18 | C19 | H18A | 120.0° | 120.0° |
| C17 | C18 | C19 | C20 | 62.3° | 180.0° |
| C18 | C17 | C16 | H16 | 68.6° | 60.0° |
| C18 | C17 | C16 | H16A | 51.4° | 60.0° |
| C18 | C17 | H17 | H17A | 119.1° | 120.0° |
| C17 | C18 | H18 | H18A | 119.4° | 120.0° |
| C17 | C18 | C19 | H19 | 177.7° | 60.0° |
| C17 | C18 | C19 | H19A | 57.7° | 59.9° |
| C18 | C19 | C20 | H19 | 120.0° | 120.0° |
| C18 | C19 | C20 | H19A | 120.0° | 120.1° |
| C19 | C18 | C17 | H17 | 56.1° | 60.0° |
| C19 | C18 | C17 | H17A | 63.9° | 60.0° |
| C19 | C18 | H18 | H18A | 119.4° | 120.0° |
| C18 | C19 | H19 | H19A | 119.6° | 120.0° |
| C18 | C19 | C20 | H20 | 180.0° | 179.9° |
| C18 | C19 | C20 | H20A | 60.0° | 60.0° |
| C18 | C19 | C20 | H20B | 60.0° | 60.0° |
| C20 | C19 | C18 | H18 | 57.8° | 60.0° |
| C20 | C19 | C18 | H18A | 177.7° | 60.0° |
| C20 | C19 | H19 | H19A | 119.6° | 120.0° |
| C19 | C20 | H20 | H20A | 120.0° | 120.0° |
| C19 | C20 | H20 | H20B | 120.0° | 120.0° |
| C19 | C20 | H20A | H20B | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 179.9° | 180.0° |
| C21 | C22 | C24 | C25 | 0.1° | 0.0° |
| C21 | C22 | C23 | H23 | 180.0° | 90.0° |
| C21 | C22 | C23 | H23A | 60.0° | 150.0° |
| C21 | C22 | C23 | H23B | 60.0° | 30.0° |
| C21 | C22 | C24 | H24 | 179.9° | 180.0° |
| C23 | C22 | C24 | C25 | 180.0° | 180.0° |
| C22 | C23 | H23 | H23A | 120.0° | 120.0° |
| C22 | C23 | H23 | H23B | 120.0° | 120.0° |
| C22 | C23 | H23A | H23B | 120.0° | 120.0° |
| C23 | C22 | C24 | H24 | 0.0° | 0.1° |
| C22 | C24 | C25 | H24 | 180.0° | 180.0° |
| C24 | C22 | C23 | H23 | 0.1° | 90.0° |
| C24 | C22 | C23 | H23A | 120.2° | 30.1° |
| C24 | C22 | C23 | H23B | 119.9° | 150.0° |
| C22 | C24 | C25 | H25 | 180.0° | 60.0° |
| C22 | C24 | C25 | H25A | 60.0° | 60.0° |
| C22 | C24 | C25 | H25B | 60.0° | 180.0° |
| C24 | C25 | H25 | H25A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25B | 120.0° | 119.9° |
| C24 | C25 | H25A | H25B | 120.0° | 120.0° |
| C27 | C28 | C29 | H28 | 120.0° | 120.0° |
| C27 | C28 | C29 | H28A | 120.0° | 120.0° |
| C27 | C28 | C29 | C30 | 89.6° | 180.0° |
| C27 | C28 | H28 | H28A | 118.8° | 120.0° |
| C27 | C28 | C29 | H29 | 150.4° | 60.0° |
| C27 | C28 | C29 | H29A | 30.4° | 60.0° |
| C28 | C29 | C30 | H29 | 120.0° | 120.0° |
| C28 | C29 | C30 | H29A | 120.0° | 120.0° |
| C28 | C29 | C30 | C56 | 89.3° | 180.0° |
| C29 | C28 | H28 | H28A | 118.8° | 120.0° |
| C28 | C29 | H29 | H29A | 118.6° | 120.0° |
| C28 | C29 | C30 | H30 | 150.7° | 60.0° |
| C28 | C29 | C30 | H30A | 30.7° | 60.1° |
| C29 | C30 | C56 | H30 | 120.0° | 120.0° |
| C29 | C30 | C56 | H30A | 120.0° | 120.0° |
| C29 | C30 | C56 | C55 | 72.2° | 90.0° |
| C29 | C30 | C56 | C57 | 105.8° | 90.0° |
| C30 | C29 | C28 | H28 | 30.4° | 60.0° |
| C30 | C29 | C28 | H28A | 150.4° | 60.0° |
| C30 | C29 | H29 | H29A | 118.6° | 120.0° |
| C29 | C30 | H30 | H30A | 119.6° | 120.1° |
| C30 | C56 | C55 | C54 | 177.5° | 180.0° |
| C30 | C56 | C55 | C57 | 178.1° | 180.0° |
| C30 | C56 | C57 | C58 | 178.0° | 179.9° |
| C56 | C30 | C29 | H29 | 30.7° | 59.9° |
| C56 | C30 | C29 | H29A | 150.7° | 60.0° |
| C56 | C30 | H30 | H30A | 119.6° | 119.9° |
| C30 | C56 | C55 | H55 | 2.5° | 0.0° |
| C30 | C56 | C57 | H57 | 2.0° | 0.1° |
| C32 | C33 | H33 | H33A | 120.0° | 120.0° |
| C32 | C33 | H33 | H33B | 120.0° | 120.0° |
| C32 | C33 | H33A | H33B | 120.0° | 120.0° |
| C40 | C41 | C42 | C43 | 120.3° | 120.0° |
| C40 | C41 | C42 | O44 | 118.2° | 120.0° |
| C40 | C41 | C43 | O44 | 118.2° | 120.1° |
| C40 | C41 | O44 | C45 | 178.8° | 60.0° |
| C41 | C40 | H40 | H40A | 120.0° | 120.0° |
| C41 | C40 | H40 | H40B | 120.0° | 120.0° |
| C41 | C40 | H40A | H40B | 120.0° | 120.1° |
| C40 | C41 | C42 | H42 | 180.0° | 60.0° |
| C40 | C41 | C42 | H42A | 60.0° | 180.0° |
| C40 | C41 | C42 | H42B | 60.0° | 60.1° |
| C40 | C41 | C43 | H43 | 180.0° | 60.0° |
| C40 | C41 | C43 | H43A | 60.0° | 180.0° |
| C40 | C41 | C43 | H43B | 60.0° | 59.9° |
| C42 | C41 | C43 | O44 | 121.6° | 120.0° |
| C42 | C41 | O44 | C45 | 62.3° | 60.0° |
| C42 | C41 | C40 | H40 | 180.0° | 60.0° |
| C42 | C41 | C40 | H40A | 60.0° | 180.0° |
| C42 | C41 | C40 | H40B | 60.0° | 60.0° |
| C41 | C42 | H42 | H42A | 120.0° | 119.9° |
| C41 | C42 | H42 | H42B | 120.0° | 120.1° |
| C41 | C42 | H42A | H42B | 120.0° | 120.0° |
| C42 | C41 | C43 | H43 | 59.8° | 180.0° |
| C42 | C41 | C43 | H43A | 179.8° | 60.0° |
| C42 | C41 | C43 | H43B | 60.2° | 60.0° |
| C43 | C41 | O44 | C45 | 59.8° | 180.0° |
| C43 | C41 | C40 | H40 | 58.8° | 180.0° |
| C43 | C41 | C40 | H40A | 178.8° | 60.0° |
| C43 | C41 | C40 | H40B | 61.2° | 60.0° |
| C43 | C41 | C42 | H42 | 59.7° | 60.0° |
| C43 | C41 | C42 | H42A | 60.3° | 60.0° |
| C43 | C41 | C42 | H42B | 179.7° | 180.0° |
| C41 | C43 | H43 | H43A | 120.0° | 120.0° |
| C41 | C43 | H43 | H43B | 120.0° | 120.0° |
| C41 | C43 | H43A | H43B | 120.0° | 120.1° |
| C41 | O44 | C45 | O46 | 177.1° | 0.0° |
| C41 | O44 | C45 | N47 | 2.0° | 180.0° |
| O44 | C41 | C40 | H40 | 60.6° | 60.0° |
| O44 | C41 | C40 | H40A | 59.5° | 60.0° |
| O44 | C41 | C40 | H40B | 179.4° | 180.0° |
| O44 | C41 | C42 | H42 | 61.8° | 179.9° |
| O44 | C41 | C42 | H42A | 178.2° | 60.0° |
| O44 | C41 | C42 | H42B | 58.2° | 60.0° |
| O44 | C41 | C43 | H43 | 61.8° | 60.0° |
| O44 | C41 | C43 | H43A | 58.2° | 60.0° |
| O44 | C41 | C43 | H43B | 178.2° | 180.0° |
| O44 | C45 | O46 | N47 | 179.1° | 179.9° |
| O44 | C45 | N47 | C48 | 179.5° | 180.0° |
| O44 | C45 | N47 | HN47 | 0.5° | 0.1° |
| O46 | C45 | N47 | C48 | 0.5° | 0.1° |
| O46 | C45 | N47 | HN47 | 179.5° | 180.0° |
| C45 | N47 | C48 | HN47 | 180.0° | 179.9° |
| C45 | N47 | C48 | C49 | 16.7° | 180.0° |
| C45 | N47 | C48 | H48 | 103.3° | 60.1° |
| C45 | N47 | C48 | H48A | 136.8° | 60.0° |
| N47 | C48 | C49 | H48 | 120.0° | 119.9° |
| N47 | C48 | C49 | H48A | 120.0° | 120.0° |
| N47 | C48 | C49 | C50 | 93.3° | 180.0° |
| N47 | C48 | H48 | H48A | 118.3° | 120.0° |
| N47 | C48 | C49 | H49 | 146.6° | 60.1° |
| N47 | C48 | C49 | H49A | 26.6° | 59.9° |
| C48 | C49 | C50 | H49 | 120.0° | 120.0° |
| C48 | C49 | C50 | H49A | 120.0° | 120.1° |
| C48 | C49 | C50 | C51 | 132.0° | 180.0° |
| C49 | C48 | N47 | HN47 | 163.3° | 0.1° |
| C49 | C48 | H48 | H48A | 118.3° | 120.0° |
| C48 | C49 | H49 | H49A | 119.1° | 120.1° |
| C48 | C49 | C50 | H50 | 108.0° | 60.0° |
| C48 | C49 | C50 | H50A | 12.0° | 60.0° |
| C49 | C50 | C51 | H50 | 120.0° | 120.0° |
| C49 | C50 | C51 | H50A | 120.0° | 119.9° |
| C49 | C50 | C51 | C52 | 62.7° | 180.0° |
| C50 | C49 | C48 | H48 | 26.7° | 60.0° |
| C50 | C49 | C48 | H48A | 146.6° | 60.0° |
| C50 | C49 | H49 | H49A | 119.1° | 120.0° |
| C49 | C50 | H50 | H50A | 119.5° | 120.0° |
| C49 | C50 | C51 | H51 | 57.3° | 60.0° |
| C49 | C50 | C51 | H51A | 177.3° | 60.0° |
| C50 | C51 | C52 | H51 | 120.0° | 120.0° |
| C50 | C51 | C52 | H51A | 120.0° | 120.0° |
| C50 | C51 | C52 | C53 | 174.8° | 180.0° |
| C51 | C50 | C49 | H49 | 12.0° | 60.0° |
| C51 | C50 | C49 | H49A | 108.0° | 60.0° |
| C51 | C50 | H50 | H50A | 119.5° | 120.0° |
| C50 | C51 | H51 | H51A | 119.7° | 120.0° |
| C50 | C51 | C52 | H52 | 65.2° | 60.0° |
| C50 | C51 | C52 | H52A | 54.8° | 60.1° |
| C51 | C52 | C53 | H52 | 120.0° | 120.0° |
| C51 | C52 | C53 | H52A | 120.0° | 119.9° |
| C51 | C52 | C53 | C54 | 90.2° | 180.0° |
| C52 | C51 | C50 | H50 | 177.3° | 60.0° |
| C52 | C51 | C50 | H50A | 57.3° | 60.1° |
| C52 | C51 | H51 | H51A | 119.7° | 120.0° |
| C51 | C52 | H52 | H52A | 118.5° | 120.0° |
| C51 | C52 | C53 | H53 | 149.8° | 60.0° |
| C51 | C52 | C53 | H53A | 29.8° | 60.0° |
| C52 | C53 | C54 | H53 | 120.0° | 120.0° |
| C52 | C53 | C54 | H53A | 120.0° | 120.1° |
| C52 | C53 | C54 | C55 | 171.8° | 100.0° |
| C52 | C53 | C54 | C59 | 13.1° | 80.2° |
| C53 | C52 | C51 | H51 | 54.8° | 60.0° |
| C53 | C52 | C51 | H51A | 65.2° | 60.0° |
| C53 | C52 | H52 | H52A | 118.5° | 120.0° |
| C52 | C53 | H53 | H53A | 117.3° | 120.0° |
| C53 | C54 | C55 | C59 | 175.5° | 179.8° |
| C53 | C54 | C55 | C56 | 175.0° | 180.0° |
| C53 | C54 | C59 | C58 | 174.8° | 179.7° |
| C53 | C54 | C59 | O60 | 4.5° | 0.0° |
| C54 | C53 | C52 | H52 | 29.8° | 60.0° |
| C54 | C53 | C52 | H52A | 149.8° | 60.0° |
| C54 | C53 | H53 | H53A | 117.3° | 120.0° |
| C53 | C54 | C55 | H55 | 5.0° | 0.0° |
| C54 | C55 | C56 | H55 | 180.0° | 179.9° |
| C54 | C55 | C56 | C57 | 0.5° | 0.0° |
| C55 | C54 | C59 | C58 | 0.1° | 0.5° |
| C55 | C54 | C59 | O60 | 179.5° | 179.7° |
| C55 | C54 | C53 | H53 | 68.2° | 20.0° |
| C55 | C54 | C53 | H53A | 51.8° | 140.0° |
| C59 | C54 | C55 | C56 | 0.5° | 0.2° |
| C54 | C59 | C58 | C57 | 0.3° | 0.5° |
| C54 | C59 | C58 | O60 | 179.4° | 179.7° |
| C59 | C54 | C53 | H53 | 106.9° | 159.8° |
| C59 | C54 | C53 | H53A | 133.1° | 39.8° |
| C59 | C54 | C55 | H55 | 179.4° | 179.8° |
| C54 | C59 | C58 | H58 | 179.7° | 179.8° |
| C54 | C59 | O60 | HO60 | 180.0° | 90.0° |
| C55 | C56 | C57 | C58 | 0.1° | 0.0° |
| C55 | C56 | C30 | H30 | 167.8° | 30.0° |
| C55 | C56 | C30 | H30A | 47.8° | 150.0° |
| C55 | C56 | C57 | H57 | 179.9° | 180.0° |
| C56 | C57 | C58 | H57 | 180.0° | 180.0° |
| C56 | C57 | C58 | C59 | 0.3° | 0.3° |
| C57 | C56 | C30 | H30 | 14.2° | 150.0° |
| C57 | C56 | C30 | H30A | 134.1° | 29.9° |
| C57 | C56 | C55 | H55 | 179.5° | 179.9° |
| C56 | C57 | C58 | H58 | 179.7° | 180.0° |
| C57 | C58 | C59 | H58 | 180.0° | 179.7° |
| C57 | C58 | C59 | O60 | 179.1° | 179.7° |
| C59 | C58 | C57 | H57 | 179.7° | 179.7° |
| C58 | C59 | O60 | HO60 | 0.6° | 89.7° |
| O60 | C59 | C58 | H58 | 0.9° | 0.0° |
| H1 | C1 | C2 | H2 | 120.4° | 164.8° |
| H1 | C1 | C5 | H5 | 63.3° | 171.5° |
| H2 | C2 | C3 | H3 | 120.1° | 130.9° |
| H3 | C3 | C4 | H4 | 69.2° | 100.0° |
| H6 | C6 | C5 | H5 | 113.0° | 30.4° |
| H8 | C8 | C9 | H9 | 67.6° | 63.1° |
| H8 | C8 | C9 | H9A | 52.4° | 58.7° |
| H14 | C14 | C15 | H15 | 95.2° | 180.0° |
| H14 | C14 | C15 | H15A | 144.8° | 60.0° |
| H14A | C14 | C15 | H15 | 24.7° | 59.9° |
| H14A | C14 | C15 | H15A | 95.3° | 180.0° |
| H15 | C15 | C16 | H16 | 173.8° | 180.0° |
| H15 | C15 | C16 | H16A | 66.2° | 60.0° |
| H15A | C15 | C16 | H16 | 53.8° | 60.1° |
| H15A | C15 | C16 | H16A | 173.8° | 179.9° |
| H16 | C16 | C17 | H17 | 171.4° | 180.0° |
| H16 | C16 | C17 | H17A | 51.4° | 60.0° |
| H16A | C16 | C17 | H17 | 68.6° | 60.0° |
| H16A | C16 | C17 | H17A | 171.4° | 180.0° |
| H17 | C17 | C18 | H18 | 176.1° | 180.0° |
| H17 | C17 | C18 | H18A | 63.9° | 60.0° |
| H17A | C17 | C18 | H18 | 56.2° | 60.0° |
| H17A | C17 | C18 | H18A | 176.2° | 180.0° |
| H18 | C18 | C19 | H19 | 62.3° | 180.0° |
| H18 | C18 | C19 | H19A | 177.7° | 60.0° |
| H18A | C18 | C19 | H19 | 57.7° | 60.0° |
| H18A | C18 | C19 | H19A | 62.3° | 180.0° |
| H19 | C19 | C20 | H20 | 60.0° | 60.0° |
| H19 | C19 | C20 | H20A | 180.0° | 180.0° |
| H19 | C19 | C20 | H20B | 60.0° | 60.0° |
| H19A | C19 | C20 | H20 | 60.0° | 60.0° |
| H19A | C19 | C20 | H20A | 60.0° | 60.1° |
| H19A | C19 | C20 | H20B | 180.0° | 179.9° |
| H20 | C20 | H20A | H20B | 120.0° | 119.9° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
| H24 | C24 | C25 | H25 | 0.0° | 120.0° |
| H24 | C24 | C25 | H25A | 120.0° | 120.0° |
| H24 | C24 | C25 | H25B | 120.0° | 0.0° |
| H25 | C25 | H25A | H25B | 120.0° | 120.1° |
| H26 | C26 | H26A | H26B | 120.0° | 119.9° |
| H26 | C26 | C4 | H4 | 90.5° | 53.3° |
| H26A | C26 | C4 | H4 | 149.5° | 66.8° |
| H26B | C26 | C4 | H4 | 29.5° | 173.3° |
| H28 | C28 | C29 | H29 | 89.6° | 179.9° |
| H28 | C28 | C29 | H29A | 150.4° | 60.0° |
| H28A | C28 | C29 | H29 | 30.4° | 60.0° |
| H28A | C28 | C29 | H29A | 89.6° | 180.0° |
| H29 | C29 | C30 | H30 | 89.3° | 180.0° |
| H29 | C29 | C30 | H30A | 150.7° | 60.0° |
| H29A | C29 | C30 | H30 | 30.6° | 60.0° |
| H29A | C29 | C30 | H30A | 89.3° | 179.9° |
| H31 | C31 | H31A | H31B | 120.0° | 120.0° |
| H33 | C33 | H33A | H33B | 120.0° | 120.0° |
| H34 | C34 | H34A | H34B | 120.0° | 119.9° |
| H40 | C40 | H40A | H40B | 120.0° | 120.0° |
| H42 | C42 | H42A | H42B | 120.0° | 120.0° |
| H43 | C43 | H43A | H43B | 120.0° | 119.9° |
| HN47 | N47 | C48 | H48 | 76.7° | 120.0° |
| HN47 | N47 | C48 | H48A | 43.3° | 120.0° |
| H48 | C48 | C49 | H49 | 93.4° | 180.0° |
| H48 | C48 | C49 | H49A | 146.6° | 60.0° |
| H48A | C48 | C49 | H49 | 26.6° | 60.0° |
| H48A | C48 | C49 | H49A | 93.4° | 180.0° |
| H49 | C49 | C50 | H50 | 132.0° | 180.0° |
| H49 | C49 | C50 | H50A | 108.0° | 60.0° |
| H49A | C49 | C50 | H50 | 12.0° | 60.1° |
| H49A | C49 | C50 | H50A | 132.0° | 179.9° |
| H50 | C50 | C51 | H51 | 62.6° | 180.0° |
| H50 | C50 | C51 | H51A | 57.4° | 59.9° |
| H50A | C50 | C51 | H51 | 177.3° | 60.0° |
| H50A | C50 | C51 | H51A | 62.7° | 180.0° |
| H51 | C51 | C52 | H52 | 174.8° | 180.0° |
| H51 | C51 | C52 | H52A | 65.2° | 60.0° |
| H51A | C51 | C52 | H52 | 54.8° | 60.0° |
| H51A | C51 | C52 | H52A | 174.8° | 180.0° |
| H52 | C52 | C53 | H53 | 90.2° | 180.0° |
| H52 | C52 | C53 | H53A | 149.8° | 60.0° |
| H52A | C52 | C53 | H53 | 29.8° | 60.0° |
| H52A | C52 | C53 | H53A | 90.2° | 179.9° |
| H57 | C57 | C58 | H58 | 0.3° | 0.0° |
| H4 | C4 | C5 | H5 | 6.3° | 53.9° |
