IVM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C6 | O1 | sing | 1.43Å | 1.42Å | |
| C5 | O1 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C19 | O2 | sing | 1.43Å | 1.43Å | |
| C20 | O2 | sing | 1.43Å | 1.43Å | |
| C5 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | O3 | sing | 1.43Å | 1.42Å | |
| O3 | C23 | sing | 1.43Å | 1.42Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C24 | O4 | sing | 1.43Å | 1.42Å | |
| C25 | O4 | sing | 1.43Å | 1.43Å | |
| C9 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | O5 | sing | 1.43Å | 1.43Å | |
| C28 | O5 | sing | 1.43Å | 1.43Å | |
| O14 | C6 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C11 | sing | 1.53Å | 1.52Å | |
| C29 | O6 | sing | 1.43Å | 1.43Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C25 | O7 | sing | 1.43Å | 1.43Å | |
| O7 | C30 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| O8 | C20 | sing | 1.43Å | 1.43Å | |
| O8 | C32 | sing | 1.43Å | 1.42Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C40 | O9 | sing | 1.43Å | 1.43Å | |
| O9 | C41 | sing | 1.43Å | 1.44Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| O10 | C42 | sing | 1.43Å | 1.42Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C46 | O11 | doub | 1.21Å | 1.22Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | O12 | sing | 1.45Å | 1.42Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| O12 | C46 | sing | 1.34Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C47 | O13 | sing | 1.43Å | 1.43Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| O14 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.50Å | 1.51Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | C16 | doub | 1.31Å | 1.34Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | C19 | sing | 1.51Å | 1.50Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C19 | C34 | sing | 1.53Å | 1.52Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C24 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | H22 | 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 | |
| C32 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H30 | 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 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | H32 | 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 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | C36 | sing | 1.50Å | 1.51Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C36 | C37 | doub | 1.33Å | 1.33Å | |
| C36 | H36 | sing | 1.09Å | 1.08Å | |
| C37 | C38 | sing | 1.47Å | 1.46Å | |
| C37 | H37 | sing | 1.07Å | 1.08Å | |
| C38 | C39 | doub | 1.32Å | 1.34Å | |
| C38 | H38 | sing | 1.09Å | 1.08Å | |
| C40 | C39 | sing | 1.50Å | 1.50Å | |
| C39 | C47 | sing | 1.52Å | 1.50Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C47 | C41 | sing | 1.53Å | 1.52Å | |
| C41 | C42 | sing | 1.52Å | 1.53Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.51Å | 1.50Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C44 | C43 | doub | 1.33Å | 1.34Å | |
| C43 | C48 | sing | 1.51Å | 1.50Å | |
| C45 | C44 | sing | 1.51Å | 1.50Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C46 | C45 | sing | 1.50Å | 1.50Å | |
| C45 | C47 | sing | 1.53Å | 1.52Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C48 | H48B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.4° | 109.5° |
| C1 | C2 | C3 | 110.8° | 109.5° |
| C1 | C2 | H2 | 109.2° | 109.5° |
| C1 | C2 | H2A | 109.1° | 109.5° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| C6 | O1 | C5 | 112.0° | 114.4° |
| O1 | C6 | O14 | 107.3° | 109.8° |
| O1 | C6 | C7 | 110.1° | 109.6° |
| O1 | C6 | C11 | 109.0° | 109.5° |
| O1 | C5 | C3 | 109.4° | 109.4° |
| O1 | C5 | C9 | 110.4° | 109.8° |
| O1 | C5 | H5 | 109.1° | 109.4° |
| C3 | C2 | H2 | 109.2° | 109.5° |
| C3 | C2 | H2A | 109.2° | 109.5° |
| C2 | C3 | C5 | 110.4° | 109.5° |
| C2 | C3 | C4 | 111.4° | 109.5° |
| C2 | C3 | H3 | 107.9° | 109.5° |
| H2 | C2 | H2A | 109.5° | 109.4° |
| C19 | O2 | C20 | 112.7° | 114.1° |
| O2 | C19 | C17 | 111.4° | 109.5° |
| O2 | C19 | C34 | 108.4° | 109.6° |
| O2 | C19 | H19 | 110.4° | 109.5° |
| O2 | C20 | O8 | 109.9° | 109.5° |
| O2 | C20 | C21 | 108.8° | 109.5° |
| O2 | C20 | H20 | 110.0° | 109.5° |
| C5 | C3 | C4 | 111.1° | 109.5° |
| C5 | C3 | H3 | 107.9° | 109.5° |
| C3 | C5 | C9 | 112.2° | 109.4° |
| C3 | C5 | H5 | 107.9° | 109.5° |
| C4 | C3 | H3 | 107.9° | 109.4° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.4° | 109.4° |
| C3 | C4 | H4B | 109.5° | 109.5° |
| C22 | O3 | C23 | 111.3° | 114.0° |
| O3 | C22 | C21 | 110.2° | 109.5° |
| O3 | C22 | C24 | 110.1° | 109.5° |
| O3 | C22 | H22 | 109.8° | 109.6° |
| O3 | C23 | H23 | 109.5° | 109.5° |
| O3 | C23 | H23A | 109.5° | 109.5° |
| O3 | C23 | H23B | 109.5° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| C24 | O4 | C25 | 113.3° | 114.0° |
| O4 | C24 | C22 | 110.2° | 109.5° |
| O4 | C24 | C32 | 108.5° | 109.5° |
| O4 | C24 | H24 | 110.9° | 109.5° |
| O4 | C25 | O7 | 109.1° | 109.5° |
| O4 | C25 | C26 | 110.6° | 109.5° |
| O4 | C25 | H25 | 109.3° | 109.5° |
| C9 | C5 | H5 | 107.8° | 109.3° |
| C5 | C9 | C8 | 111.7° | 109.4° |
| C5 | C9 | C10 | 111.4° | 109.5° |
| C5 | C9 | H9 | 107.7° | 109.5° |
| C27 | O5 | C28 | 113.5° | 114.0° |
| O5 | C27 | C26 | 109.7° | 109.6° |
| O5 | C27 | C29 | 109.4° | 109.5° |
| O5 | C27 | H27 | 109.7° | 109.5° |
| O5 | C28 | H28 | 109.5° | 109.4° |
| O5 | C28 | H28A | 109.5° | 109.5° |
| O5 | C28 | H28B | 109.4° | 109.5° |
| O14 | C6 | C7 | 109.6° | 109.6° |
| O14 | C6 | C11 | 111.2° | 109.5° |
| C6 | O14 | C14 | 116.8° | 115.0° |
| C7 | C6 | C11 | 109.7° | 108.7° |
| C6 | C7 | C8 | 112.6° | 109.7° |
| C6 | C7 | H7 | 108.7° | 109.5° |
| C6 | C7 | H7A | 108.7° | 109.4° |
| C6 | C11 | C12 | 111.9° | 110.1° |
| C6 | C11 | H11 | 108.9° | 109.4° |
| C6 | C11 | H11A | 108.8° | 109.3° |
| C29 | O6 | HO6 | 109.5° | 114.0° |
| O6 | C29 | C27 | 109.8° | 109.5° |
| O6 | C29 | C30 | 108.6° | 109.5° |
| O6 | C29 | H29 | 109.9° | 109.6° |
| C8 | C7 | H7 | 108.7° | 109.5° |
| C8 | C7 | H7A | 108.7° | 109.4° |
| C7 | C8 | C9 | 112.6° | 109.6° |
| C7 | C8 | H8 | 108.7° | 109.4° |
| C7 | C8 | H8A | 108.7° | 109.5° |
| H7 | C7 | H7A | 109.5° | 109.4° |
| C25 | O7 | C30 | 111.7° | 114.1° |
| O7 | C25 | C26 | 110.4° | 109.4° |
| O7 | C25 | H25 | 109.3° | 109.4° |
| O7 | C30 | C29 | 109.5° | 109.4° |
| O7 | C30 | C31 | 110.3° | 109.4° |
| O7 | C30 | H30 | 109.4° | 109.5° |
| C9 | C8 | H8 | 108.7° | 109.5° |
| C9 | C8 | H8A | 108.7° | 109.5° |
| C8 | C9 | C10 | 110.5° | 109.5° |
| C8 | C9 | H9 | 107.7° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.4° |
| C20 | O8 | C32 | 114.2° | 114.1° |
| O8 | C20 | C21 | 109.6° | 109.4° |
| O8 | C20 | H20 | 110.0° | 109.5° |
| O8 | C32 | C24 | 109.1° | 109.4° |
| O8 | C32 | C33 | 108.8° | 109.5° |
| O8 | C32 | H32 | 110.1° | 109.5° |
| C10 | C9 | H9 | 107.7° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C9 | C10 | H10A | 109.5° | 109.4° |
| C9 | C10 | H10B | 109.5° | 109.4° |
| C40 | O9 | C41 | 109.8° | 111.0° |
| O9 | C40 | C39 | 102.4° | 109.0° |
| O9 | C40 | H40 | 111.2° | 109.6° |
| O9 | C40 | H40A | 111.2° | 109.6° |
| O9 | C41 | C47 | 106.1° | 107.9° |
| O9 | C41 | C42 | 110.1° | 110.1° |
| O9 | C41 | H41 | 108.2° | 109.2° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H10 | C10 | H10B | 109.5° | 109.6° |
| H10A | C10 | H10B | 109.4° | 109.5° |
| C42 | O10 | HO10 | 109.5° | 114.0° |
| O10 | C42 | C41 | 107.3° | 109.2° |
| O10 | C42 | C43 | 107.0° | 109.2° |
| O10 | C42 | H42 | 110.3° | 109.1° |
| C12 | C11 | H11 | 108.9° | 109.3° |
| C12 | C11 | H11A | 108.9° | 109.3° |
| C11 | C12 | C13 | 107.9° | 109.6° |
| C11 | C12 | O12 | 107.6° | 109.0° |
| C11 | C12 | H12 | 110.3° | 109.8° |
| H11 | C11 | H11A | 109.5° | 109.3° |
| O11 | C46 | O12 | 119.0° | 119.6° |
| O11 | C46 | C45 | 120.3° | 119.7° |
| C13 | C12 | O12 | 108.8° | 108.8° |
| C13 | C12 | H12 | 110.4° | 110.2° |
| C12 | C13 | C14 | 111.8° | 109.8° |
| C12 | C13 | H13 | 108.9° | 109.5° |
| C12 | C13 | H13A | 108.9° | 109.5° |
| O12 | C12 | H12 | 111.7° | 109.5° |
| C12 | O12 | C46 | 112.6° | 117.4° |
| O12 | C46 | C45 | 120.7° | 120.7° |
| C14 | C13 | H13 | 108.9° | 109.4° |
| C14 | C13 | H13A | 108.9° | 109.3° |
| C13 | C14 | C15 | 106.7° | 109.3° |
| C13 | C14 | O14 | 112.5° | 109.5° |
| C13 | C14 | H14 | 109.2° | 109.6° |
| H13 | C13 | H13A | 109.5° | 109.4° |
| C47 | O13 | HO13 | 109.5° | 114.0° |
| O13 | C47 | C39 | 111.1° | 109.8° |
| O13 | C47 | C41 | 109.6° | 110.4° |
| O13 | C47 | C45 | 109.7° | 110.2° |
| C15 | C14 | O14 | 108.9° | 108.5° |
| C15 | C14 | H14 | 109.1° | 110.1° |
| C14 | C15 | C16 | 108.9° | 110.6° |
| C14 | C15 | H15 | 109.6° | 109.3° |
| C14 | C15 | H15A | 109.6° | 109.3° |
| O14 | C14 | H14 | 110.4° | 109.7° |
| C16 | C15 | H15 | 109.6° | 109.2° |
| C16 | C15 | H15A | 109.6° | 109.2° |
| C15 | C16 | C17 | 121.1° | 120.2° |
| C15 | C16 | H16 | 119.4° | 120.3° |
| H15 | C15 | H15A | 109.5° | 109.2° |
| C17 | C16 | H16 | 119.5° | 119.5° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C16 | C17 | C19 | 120.6° | 120.1° |
| C18 | C17 | C19 | 119.4° | 119.9° |
| C17 | C18 | H18 | 109.5° | 109.5° |
| C17 | C18 | H18A | 109.5° | 109.5° |
| C17 | C18 | H18B | 109.5° | 109.4° |
| C17 | C19 | C34 | 108.2° | 109.0° |
| C17 | C19 | H19 | 109.3° | 109.5° |
| H18 | C18 | H18A | 109.4° | 109.5° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| C34 | C19 | H19 | 109.0° | 109.7° |
| C19 | C34 | C35 | 110.0° | 109.7° |
| C19 | C34 | C36 | 109.4° | 108.5° |
| C19 | C34 | H34 | 109.4° | 109.7° |
| C21 | C20 | H20 | 108.6° | 109.5° |
| C20 | C21 | C22 | 110.9° | 109.2° |
| C20 | C21 | H21 | 109.1° | 109.5° |
| C20 | C21 | H21A | 109.1° | 109.5° |
| C22 | C21 | H21 | 109.1° | 109.5° |
| C22 | C21 | H21A | 109.1° | 109.5° |
| C21 | C22 | C24 | 109.7° | 109.0° |
| C21 | C22 | H22 | 108.4° | 109.6° |
| H21 | C21 | H21A | 109.5° | 109.6° |
| C24 | C22 | H22 | 108.5° | 109.6° |
| C22 | C24 | C32 | 108.3° | 109.2° |
| C22 | C24 | H24 | 109.5° | 109.5° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| H23 | C23 | H23B | 109.4° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| C32 | C24 | H24 | 109.4° | 109.6° |
| C24 | C32 | C33 | 111.3° | 109.5° |
| C24 | C32 | H32 | 108.7° | 109.5° |
| C26 | C25 | H25 | 108.1° | 109.5° |
| C25 | C26 | C27 | 111.5° | 109.2° |
| C25 | C26 | H26 | 109.0° | 109.5° |
| C25 | C26 | H26A | 109.0° | 109.5° |
| C27 | C26 | H26 | 109.0° | 109.5° |
| C27 | C26 | H26A | 108.9° | 109.5° |
| C26 | C27 | C29 | 111.0° | 109.1° |
| C26 | C27 | H27 | 108.5° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.6° |
| C29 | C27 | H27 | 108.5° | 109.6° |
| C27 | C29 | C30 | 111.1° | 109.1° |
| C27 | C29 | H29 | 108.6° | 109.5° |
| H28 | C28 | H28A | 109.4° | 109.5° |
| H28 | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.4° |
| C30 | C29 | H29 | 108.7° | 109.6° |
| C29 | C30 | C31 | 111.3° | 109.5° |
| C29 | C30 | H30 | 108.2° | 109.5° |
| C31 | C30 | H30 | 108.1° | 109.5° |
| C30 | C31 | H31 | 109.5° | 109.5° |
| C30 | C31 | H31A | 109.5° | 109.4° |
| C30 | C31 | H31B | 109.4° | 109.4° |
| H31 | C31 | H31A | 109.5° | 109.5° |
| H31 | C31 | H31B | 109.5° | 109.5° |
| H31A | C31 | H31B | 109.5° | 109.5° |
| C33 | C32 | H32 | 108.7° | 109.5° |
| C32 | C33 | H33 | 109.5° | 109.5° |
| C32 | C33 | H33A | 109.4° | 109.4° |
| C32 | C33 | H33B | 109.4° | 109.4° |
| H33 | C33 | H33A | 109.5° | 109.5° |
| H33 | C33 | H33B | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| C35 | C34 | C36 | 109.2° | 109.6° |
| C35 | C34 | H34 | 109.4° | 109.7° |
| C34 | C35 | H35 | 109.5° | 109.5° |
| C34 | C35 | H35A | 109.5° | 109.5° |
| C34 | C35 | H35B | 109.5° | 109.4° |
| C36 | C34 | H34 | 109.5° | 109.8° |
| C34 | C36 | C37 | 121.8° | 122.1° |
| C34 | C36 | H36 | 119.1° | 119.3° |
| H35 | C35 | H35A | 109.5° | 109.5° |
| H35 | C35 | H35B | 109.5° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.4° |
| C37 | C36 | H36 | 119.1° | 118.6° |
| C36 | C37 | C38 | 119.1° | 116.9° |
| C36 | C37 | H37 | 120.5° | 121.9° |
| C38 | C37 | H37 | 120.5° | 121.2° |
| C37 | C38 | C39 | 121.0° | 123.1° |
| C37 | C38 | H38 | 119.5° | 118.4° |
| C39 | C38 | H38 | 119.5° | 118.6° |
| C38 | C39 | C40 | 124.1° | 130.0° |
| C38 | C39 | C47 | 124.1° | 124.3° |
| C40 | C39 | C47 | 111.8° | 105.8° |
| C39 | C40 | H40 | 111.2° | 109.6° |
| C39 | C40 | H40A | 111.2° | 109.6° |
| C39 | C47 | C41 | 99.9° | 105.9° |
| C39 | C47 | C45 | 113.7° | 109.3° |
| H40 | C40 | H40A | 109.5° | 109.5° |
| C47 | C41 | C42 | 117.7° | 111.8° |
| C47 | C41 | H41 | 107.2° | 109.2° |
| C41 | C47 | C45 | 112.5° | 111.1° |
| C42 | C41 | H41 | 107.1° | 108.8° |
| C41 | C42 | C43 | 114.1° | 111.0° |
| C41 | C42 | H42 | 108.8° | 109.2° |
| C43 | C42 | H42 | 109.2° | 109.2° |
| C42 | C43 | C44 | 121.5° | 117.2° |
| C42 | C43 | C48 | 118.6° | 121.4° |
| C44 | C43 | C48 | 119.8° | 121.4° |
| C43 | C44 | C45 | 121.3° | 114.8° |
| C43 | C44 | H44 | 119.3° | 122.6° |
| C43 | C48 | H48 | 109.5° | 109.5° |
| C43 | C48 | H48A | 109.5° | 109.5° |
| C43 | C48 | H48B | 109.4° | 109.5° |
| C45 | C44 | H44 | 119.4° | 122.6° |
| C44 | C45 | C46 | 106.9° | 111.2° |
| C44 | C45 | C47 | 106.7° | 108.7° |
| C44 | C45 | H45 | 110.9° | 109.3° |
| C46 | C45 | C47 | 110.7° | 109.9° |
| C46 | C45 | H45 | 110.9° | 109.5° |
| C47 | C45 | H45 | 110.6° | 108.2° |
| H48 | C48 | H48A | 109.5° | 109.5° |
| H48 | C48 | H48B | 109.5° | 109.5° |
| H48A | C48 | H48B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | H2 | 120.2° | 120.0° |
| C1 | C2 | C3 | H2A | 120.2° | 120.0° |
| C1 | C2 | H2 | H2A | 119.4° | 120.0° |
| C1 | C2 | C3 | C5 | 61.4° | 175.0° |
| C1 | C2 | C3 | C4 | 174.7° | 65.0° |
| C1 | C2 | C3 | H3 | 56.3° | 55.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | C3 | 180.0° | 60.0° |
| H1 | C1 | C2 | H2 | 59.8° | 60.0° |
| H1 | C1 | C2 | H2A | 59.8° | 180.0° |
| H1A | C1 | C2 | C3 | 60.0° | 60.0° |
| H1A | C1 | C2 | H2 | 60.2° | 180.0° |
| H1A | C1 | C2 | H2A | 179.8° | 60.0° |
| H1B | C1 | C2 | C3 | 60.0° | 180.0° |
| H1B | C1 | C2 | H2 | 179.8° | 60.0° |
| H1B | C1 | C2 | H2A | 60.2° | 60.0° |
| C6 | O1 | C5 | C3 | 169.5° | 179.3° |
| C6 | O1 | C5 | C9 | 66.6° | 60.6° |
| C6 | O1 | C5 | H5 | 51.7° | 59.4° |
| O1 | C6 | O14 | C7 | 119.5° | 120.5° |
| O1 | C6 | O14 | C11 | 119.1° | 120.3° |
| O1 | C6 | C7 | C11 | 119.9° | 119.7° |
| O1 | C6 | C7 | C8 | 3.1° | 56.6° |
| O1 | C6 | C7 | H7 | 123.6° | 176.7° |
| O1 | C6 | C7 | H7A | 117.3° | 63.4° |
| O1 | C6 | C11 | C12 | 63.6° | 65.0° |
| O1 | C6 | C11 | H11 | 56.8° | 55.2° |
| O1 | C6 | C11 | H11A | 176.0° | 174.9° |
| O1 | C6 | O14 | C14 | 68.4° | 60.6° |
| O1 | C5 | C3 | C2 | 72.6° | 65.0° |
| O1 | C5 | C3 | C9 | 122.8° | 120.4° |
| O1 | C5 | C3 | H5 | 118.6° | 119.9° |
| O1 | C5 | C3 | C4 | 51.5° | 55.0° |
| O1 | C5 | C3 | H3 | 169.6° | 175.0° |
| O1 | C5 | C9 | H5 | 119.1° | 120.0° |
| C5 | O1 | C6 | O14 | 58.1° | 60.0° |
| C5 | O1 | C6 | C7 | 61.1° | 60.5° |
| C5 | O1 | C6 | C11 | 178.6° | 179.6° |
| O1 | C5 | C9 | C8 | 12.0° | 56.7° |
| O1 | C5 | C9 | C10 | 136.1° | 176.7° |
| O1 | C5 | C9 | H9 | 106.0° | 63.3° |
| C3 | C2 | H2 | H2A | 119.4° | 120.0° |
| C2 | C3 | C5 | C4 | 124.1° | 120.0° |
| C2 | C3 | C5 | H3 | 117.8° | 120.0° |
| C2 | C3 | C4 | H3 | 118.4° | 120.0° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4A | 60.0° | 60.1° |
| C2 | C3 | C4 | H4B | 60.0° | 60.0° |
| C2 | C3 | C5 | C9 | 164.6° | 174.7° |
| C2 | C3 | C5 | H5 | 45.9° | 54.9° |
| H2 | C2 | C3 | C5 | 58.8° | 55.0° |
| H2 | C2 | C3 | C4 | 65.1° | 175.0° |
| H2 | C2 | C3 | H3 | 176.5° | 65.0° |
| H2A | C2 | C3 | C5 | 178.4° | 65.0° |
| H2A | C2 | C3 | C4 | 54.5° | 55.1° |
| H2A | C2 | C3 | H3 | 63.9° | 175.0° |
| C19 | O2 | C20 | O8 | 73.3° | 65.0° |
| O2 | C19 | C17 | C16 | 25.1° | 9.1° |
| O2 | C19 | C17 | C18 | 155.8° | 170.5° |
| O2 | C19 | C17 | C34 | 119.0° | 119.9° |
| O2 | C19 | C17 | H19 | 122.3° | 120.1° |
| O2 | C19 | C34 | H19 | 120.2° | 120.2° |
| C19 | O2 | C20 | C21 | 166.6° | 175.1° |
| C19 | O2 | C20 | H20 | 47.8° | 55.0° |
| O2 | C19 | C34 | C35 | 53.6° | 44.8° |
| O2 | C19 | C34 | C36 | 66.2° | 74.9° |
| O2 | C19 | C34 | H34 | 173.8° | 165.3° |
| O2 | C20 | O8 | C21 | 119.5° | 120.0° |
| O2 | C20 | O8 | H20 | 121.1° | 120.0° |
| O2 | C20 | O8 | C32 | 60.5° | 58.8° |
| C20 | O2 | C19 | C17 | 76.8° | 90.0° |
| C20 | O2 | C19 | C34 | 164.3° | 150.5° |
| C20 | O2 | C19 | H19 | 44.9° | 30.2° |
| O2 | C20 | C21 | H20 | 119.7° | 120.0° |
| O2 | C20 | C21 | C22 | 67.0° | 62.4° |
| O2 | C20 | C21 | H21 | 172.9° | 177.7° |
| O2 | C20 | C21 | H21A | 53.3° | 57.5° |
| C5 | C3 | C4 | H3 | 118.1° | 120.0° |
| C5 | C3 | C4 | H4 | 56.5° | 60.0° |
| C5 | C3 | C4 | H4A | 63.5° | 60.0° |
| C5 | C3 | C4 | H4B | 176.5° | 180.0° |
| C3 | C5 | C9 | H5 | 118.7° | 119.8° |
| C3 | C5 | C9 | C8 | 134.2° | 176.8° |
| C3 | C5 | C9 | C10 | 101.6° | 63.2° |
| C3 | C5 | C9 | H9 | 16.2° | 56.9° |
| C3 | C4 | H4 | H4A | 120.0° | 119.9° |
| C3 | C4 | H4 | H4B | 120.0° | 120.0° |
| C3 | C4 | H4A | H4B | 120.0° | 120.0° |
| C4 | C3 | C5 | C9 | 71.3° | 65.3° |
| C4 | C3 | C5 | H5 | 170.1° | 174.9° |
| H3 | C3 | C4 | H4 | 61.7° | 60.0° |
| H3 | C3 | C4 | H4A | 178.4° | 180.0° |
| H3 | C3 | C4 | H4B | 58.4° | 60.0° |
| H3 | C3 | C5 | C9 | 46.8° | 54.6° |
| H3 | C3 | C5 | H5 | 71.8° | 65.1° |
| O3 | C22 | C24 | O4 | 63.0° | 63.3° |
| O3 | C22 | C21 | C20 | 175.6° | 176.8° |
| O3 | C22 | C21 | C24 | 121.4° | 119.8° |
| O3 | C22 | C21 | H22 | 120.2° | 120.2° |
| O3 | C22 | C21 | H21 | 55.4° | 56.9° |
| O3 | C22 | C21 | H21A | 64.2° | 63.3° |
| O3 | C22 | C24 | H22 | 120.2° | 120.3° |
| C22 | O3 | C23 | H23 | 180.0° | 180.0° |
| C22 | O3 | C23 | H23A | 60.0° | 60.0° |
| C22 | O3 | C23 | H23B | 60.0° | 60.0° |
| O3 | C22 | C24 | C32 | 178.5° | 176.9° |
| O3 | C22 | C24 | H24 | 59.2° | 56.8° |
| C23 | O3 | C22 | C21 | 65.4° | 90.1° |
| C23 | O3 | C22 | C24 | 173.4° | 150.4° |
| C23 | O3 | C22 | H22 | 54.0° | 30.1° |
| O3 | C23 | H23 | H23A | 120.0° | 120.0° |
| O3 | C23 | H23 | H23B | 120.0° | 120.0° |
| O3 | C23 | H23A | H23B | 120.0° | 120.0° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| C24 | O4 | C25 | O7 | 153.6° | 72.3° |
| O4 | C24 | C32 | O8 | 179.9° | 177.5° |
| O4 | C24 | C22 | C21 | 175.5° | 176.9° |
| O4 | C24 | C22 | C32 | 118.5° | 119.8° |
| O4 | C24 | C22 | H24 | 122.2° | 120.1° |
| O4 | C24 | C22 | H22 | 57.2° | 57.0° |
| O4 | C24 | C32 | H24 | 121.1° | 120.2° |
| C24 | O4 | C25 | C26 | 84.8° | 167.8° |
| C24 | O4 | C25 | H25 | 34.1° | 47.7° |
| O4 | C24 | C32 | C33 | 60.0° | 62.5° |
| O4 | C24 | C32 | H32 | 59.8° | 57.6° |
| O4 | C25 | O7 | C26 | 121.7° | 120.0° |
| O4 | C25 | O7 | H25 | 119.5° | 120.0° |
| O4 | C25 | O7 | C30 | 58.6° | 58.8° |
| C25 | O4 | C24 | C22 | 122.2° | 88.8° |
| C25 | O4 | C24 | C32 | 119.4° | 151.6° |
| C25 | O4 | C24 | H24 | 0.8° | 31.3° |
| O4 | C25 | C26 | H25 | 119.7° | 120.1° |
| O4 | C25 | C26 | C27 | 66.7° | 62.4° |
| O4 | C25 | C26 | H26 | 173.0° | 177.7° |
| O4 | C25 | C26 | H26A | 53.6° | 57.5° |
| C5 | C9 | C8 | C7 | 41.2° | 55.8° |
| C5 | C9 | C8 | C10 | 124.6° | 120.0° |
| C5 | C9 | C8 | H9 | 118.0° | 120.0° |
| C5 | C9 | C8 | H8 | 161.7° | 64.3° |
| C5 | C9 | C8 | H8A | 79.2° | 175.8° |
| C5 | C9 | C10 | H9 | 117.8° | 120.0° |
| C5 | C9 | C10 | H10 | 180.0° | 180.0° |
| C5 | C9 | C10 | H10A | 60.0° | 60.1° |
| C5 | C9 | C10 | H10B | 60.0° | 59.9° |
| H5 | C5 | C9 | C8 | 107.1° | 63.3° |
| H5 | C5 | C9 | C10 | 17.0° | 56.7° |
| H5 | C5 | C9 | H9 | 134.9° | 176.7° |
| O5 | C27 | C29 | O6 | 69.2° | 63.2° |
| O5 | C27 | C26 | C25 | 168.9° | 176.9° |
| O5 | C27 | C26 | C29 | 121.0° | 119.9° |
| O5 | C27 | C26 | H27 | 119.9° | 120.1° |
| O5 | C27 | C26 | H26 | 48.6° | 57.0° |
| O5 | C27 | C26 | H26A | 70.8° | 63.2° |
| O5 | C27 | C29 | H27 | 119.7° | 120.2° |
| C27 | O5 | C28 | H28 | 180.0° | 60.0° |
| C27 | O5 | C28 | H28A | 60.0° | 60.0° |
| C27 | O5 | C28 | H28B | 60.0° | 180.0° |
| O5 | C27 | C29 | C30 | 170.6° | 176.9° |
| O5 | C27 | C29 | H29 | 51.0° | 57.0° |
| C28 | O5 | C27 | C26 | 71.2° | 90.0° |
| C28 | O5 | C27 | C29 | 166.8° | 150.4° |
| C28 | O5 | C27 | H27 | 47.9° | 30.2° |
| O5 | C28 | H28 | H28A | 120.0° | 120.0° |
| O5 | C28 | H28 | H28B | 120.0° | 120.0° |
| O5 | C28 | H28A | H28B | 120.0° | 120.0° |
| O14 | C6 | C7 | C11 | 122.3° | 119.7° |
| O14 | C6 | C7 | C8 | 114.7° | 64.0° |
| O14 | C6 | C7 | H7 | 5.8° | 56.1° |
| O14 | C6 | C7 | H7A | 124.9° | 176.0° |
| O14 | C6 | C11 | C12 | 54.4° | 55.5° |
| O14 | C6 | C11 | H11 | 174.8° | 175.7° |
| O14 | C6 | C11 | H11A | 65.9° | 64.7° |
| C6 | O14 | C14 | C13 | 49.5° | 60.4° |
| C6 | O14 | C14 | C15 | 167.5° | 179.6° |
| C6 | O14 | C14 | H14 | 72.7° | 60.0° |
| C6 | C7 | C8 | H7 | 120.5° | 120.1° |
| C6 | C7 | C8 | H7A | 120.5° | 120.1° |
| C6 | C7 | H7 | H7A | 118.6° | 119.9° |
| C6 | C7 | C8 | C9 | 46.4° | 55.9° |
| C6 | C7 | C8 | H8 | 166.8° | 64.1° |
| C6 | C7 | C8 | H8A | 74.1° | 176.0° |
| C7 | C6 | C11 | C12 | 175.8° | 175.3° |
| C7 | C6 | C11 | H11 | 63.8° | 64.5° |
| C7 | C6 | C11 | H11A | 55.4° | 55.1° |
| C7 | C6 | O14 | C14 | 172.1° | 178.9° |
| C11 | C6 | C7 | C8 | 123.0° | 176.3° |
| C11 | C6 | C7 | H7 | 116.5° | 63.6° |
| C11 | C6 | C7 | H7A | 2.6° | 56.3° |
| C6 | C11 | C12 | H11 | 120.4° | 120.2° |
| C6 | C11 | C12 | H11A | 120.3° | 120.2° |
| C6 | C11 | H11 | H11A | 118.9° | 119.7° |
| C6 | C11 | C12 | C13 | 56.9° | 55.1° |
| C6 | C11 | C12 | O12 | 174.2° | 174.1° |
| C6 | C11 | C12 | H12 | 63.7° | 66.0° |
| C11 | C6 | O14 | C14 | 50.7° | 59.7° |
| O6 | C29 | C30 | O7 | 177.7° | 177.5° |
| O6 | C29 | C27 | C26 | 169.6° | 176.9° |
| O6 | C29 | C27 | C30 | 120.2° | 119.9° |
| O6 | C29 | C27 | H29 | 120.3° | 120.2° |
| O6 | C29 | C27 | H27 | 50.4° | 56.9° |
| O6 | C29 | C30 | H29 | 119.6° | 120.2° |
| O6 | C29 | C30 | C31 | 60.0° | 62.6° |
| O6 | C29 | C30 | H30 | 58.6° | 57.5° |
| HO6 | O6 | C29 | C27 | 180.0° | 180.0° |
| HO6 | O6 | C29 | C30 | 58.3° | 60.3° |
| HO6 | O6 | C29 | H29 | 60.5° | 59.9° |
| C8 | C7 | H7 | H7A | 118.6° | 119.9° |
| C7 | C8 | C9 | H8 | 120.5° | 120.0° |
| C7 | C8 | C9 | H8A | 120.5° | 120.0° |
| C7 | C8 | H8 | H8A | 118.6° | 119.9° |
| C7 | C8 | C9 | C10 | 83.4° | 175.8° |
| C7 | C8 | C9 | H9 | 159.2° | 64.2° |
| H7 | C7 | C8 | C9 | 74.1° | 176.0° |
| H7 | C7 | C8 | H8 | 46.3° | 56.0° |
| H7 | C7 | C8 | H8A | 165.4° | 63.9° |
| H7A | C7 | C8 | C9 | 166.8° | 64.1° |
| H7A | C7 | C8 | H8 | 72.7° | 175.8° |
| H7A | C7 | C8 | H8A | 46.4° | 55.9° |
| O7 | C25 | C26 | H25 | 119.5° | 119.9° |
| O7 | C25 | C26 | C27 | 54.1° | 57.6° |
| O7 | C25 | C26 | H26 | 66.2° | 62.2° |
| O7 | C25 | C26 | H26A | 174.4° | 177.6° |
| C25 | O7 | C30 | C29 | 64.4° | 61.2° |
| C25 | O7 | C30 | C31 | 172.8° | 178.9° |
| C25 | O7 | C30 | H30 | 54.0° | 58.8° |
| C30 | O7 | C25 | C26 | 63.1° | 61.2° |
| C30 | O7 | C25 | H25 | 178.1° | 178.8° |
| O7 | C30 | C29 | C27 | 56.8° | 57.6° |
| O7 | C30 | C29 | C31 | 122.3° | 119.9° |
| O7 | C30 | C29 | H30 | 119.2° | 120.0° |
| O7 | C30 | C29 | H29 | 62.7° | 62.3° |
| O7 | C30 | C31 | H30 | 119.6° | 120.0° |
| O7 | C30 | C31 | H31 | 180.0° | 57.0° |
| O7 | C30 | C31 | H31A | 60.0° | 177.0° |
| O7 | C30 | C31 | H31B | 60.0° | 63.0° |
| C9 | C8 | H8 | H8A | 118.6° | 120.0° |
| C8 | C9 | C10 | H9 | 117.4° | 120.0° |
| C8 | C9 | C10 | H10 | 55.2° | 60.0° |
| C8 | C9 | C10 | H10A | 175.2° | 180.0° |
| C8 | C9 | C10 | H10B | 64.8° | 60.0° |
| H8 | C8 | C9 | C10 | 37.1° | 55.8° |
| H8 | C8 | C9 | H9 | 80.3° | 175.8° |
| H8A | C8 | C9 | C10 | 156.2° | 64.2° |
| H8A | C8 | C9 | H9 | 38.8° | 55.8° |
| O8 | C20 | C21 | H20 | 120.2° | 120.0° |
| O8 | C20 | C21 | C22 | 53.2° | 57.6° |
| O8 | C20 | C21 | H21 | 67.0° | 62.3° |
| O8 | C20 | C21 | H21A | 173.4° | 177.5° |
| C20 | O8 | C32 | C24 | 63.2° | 61.2° |
| C20 | O8 | C32 | C33 | 175.2° | 178.9° |
| C20 | O8 | C32 | H32 | 56.1° | 58.8° |
| C32 | O8 | C20 | C21 | 59.0° | 61.2° |
| C32 | O8 | C20 | H20 | 178.3° | 178.8° |
| O8 | C32 | C24 | C22 | 60.3° | 57.7° |
| O8 | C32 | C24 | C33 | 120.1° | 120.0° |
| O8 | C32 | C24 | H32 | 120.1° | 120.0° |
| O8 | C32 | C24 | H24 | 59.0° | 62.3° |
| O8 | C32 | C33 | H32 | 119.9° | 120.0° |
| O8 | C32 | C33 | H33 | 180.0° | 66.3° |
| O8 | C32 | C33 | H33A | 60.0° | 173.7° |
| O8 | C32 | C33 | H33B | 60.0° | 53.7° |
| C9 | C10 | H10 | H10A | 120.0° | 119.9° |
| C9 | C10 | H10 | H10B | 120.0° | 120.0° |
| C9 | C10 | H10A | H10B | 120.0° | 119.9° |
| H9 | C9 | C10 | H10 | 62.1° | 60.0° |
| H9 | C9 | C10 | H10A | 57.9° | 59.9° |
| H9 | C9 | C10 | H10B | 177.8° | 179.9° |
| O9 | C40 | C39 | C38 | 177.1° | 173.7° |
| O9 | C40 | C39 | H40 | 118.8° | 119.9° |
| O9 | C40 | C39 | H40A | 118.8° | 119.9° |
| O9 | C40 | C39 | C47 | 3.7° | 6.6° |
| O9 | C40 | H40 | H40A | 123.2° | 120.2° |
| C40 | O9 | C41 | C47 | 33.2° | 0.9° |
| C40 | O9 | C41 | C42 | 161.6° | 123.1° |
| C40 | O9 | C41 | H41 | 81.6° | 117.6° |
| O9 | C41 | C42 | O10 | 10.5° | 43.2° |
| O9 | C41 | C47 | O13 | 144.5° | 123.8° |
| C41 | O9 | C40 | C39 | 22.6° | 3.7° |
| O9 | C41 | C47 | C39 | 27.7° | 5.0° |
| C41 | O9 | C40 | H40 | 96.3° | 123.6° |
| C41 | O9 | C40 | H40A | 141.4° | 116.3° |
| O9 | C41 | C47 | C42 | 123.8° | 121.1° |
| O9 | C41 | C47 | H41 | 115.5° | 118.5° |
| O9 | C41 | C42 | H41 | 117.5° | 119.6° |
| O9 | C41 | C42 | C43 | 128.9° | 163.6° |
| O9 | C41 | C42 | H42 | 108.8° | 76.0° |
| O9 | C41 | C47 | C45 | 93.2° | 113.5° |
| H10 | C10 | H10A | H10B | 120.0° | 120.1° |
| O10 | C42 | C41 | C47 | 111.3° | 76.6° |
| O10 | C42 | C41 | C43 | 118.4° | 120.4° |
| O10 | C42 | C41 | H42 | 119.3° | 119.2° |
| O10 | C42 | C41 | H41 | 128.0° | 162.8° |
| O10 | C42 | C43 | H42 | 119.4° | 119.2° |
| O10 | C42 | C43 | C44 | 100.1° | 69.5° |
| O10 | C42 | C43 | C48 | 80.2° | 110.5° |
| HO10 | O10 | C42 | C41 | 180.0° | 180.0° |
| HO10 | O10 | C42 | C43 | 57.1° | 58.5° |
| HO10 | O10 | C42 | H42 | 61.6° | 60.7° |
| C12 | C11 | H11 | H11A | 118.9° | 119.6° |
| C11 | C12 | C13 | O12 | 116.5° | 119.1° |
| C11 | C12 | C13 | H12 | 120.6° | 120.9° |
| C11 | C12 | O12 | H12 | 121.2° | 120.1° |
| C11 | C12 | O12 | C46 | 127.5° | 171.6° |
| C11 | C12 | C13 | C14 | 55.0° | 55.6° |
| C11 | C12 | C13 | H13 | 175.3° | 175.7° |
| C11 | C12 | C13 | H13A | 65.4° | 64.4° |
| H11 | C11 | C12 | C13 | 177.3° | 175.4° |
| H11 | C11 | C12 | O12 | 65.4° | 65.7° |
| H11 | C11 | C12 | H12 | 56.7° | 54.2° |
| H11A | C11 | C12 | C13 | 63.4° | 65.0° |
| H11A | C11 | C12 | O12 | 53.9° | 53.9° |
| H11A | C11 | C12 | H12 | 176.0° | 173.8° |
| O11 | C46 | O12 | C12 | 21.9° | 11.7° |
| O11 | C46 | O12 | C45 | 178.1° | 180.0° |
| O11 | C46 | C45 | C44 | 51.8° | 121.1° |
| O11 | C46 | C45 | C47 | 64.1° | 0.6° |
| O11 | C46 | C45 | H45 | 172.8° | 118.1° |
| C13 | C12 | O12 | H12 | 122.1° | 120.5° |
| C13 | C12 | O12 | C46 | 115.8° | 68.9° |
| C12 | C13 | C14 | H13 | 120.3° | 120.1° |
| C12 | C13 | C14 | H13A | 120.3° | 120.1° |
| C12 | C13 | H13 | H13A | 118.9° | 120.0° |
| C12 | C13 | C14 | C15 | 170.6° | 175.4° |
| C12 | C13 | C14 | O14 | 51.3° | 56.6° |
| C12 | C13 | C14 | H14 | 71.6° | 63.8° |
| O12 | C12 | C13 | C14 | 171.5° | 174.7° |
| O12 | C12 | C13 | H13 | 68.2° | 65.2° |
| O12 | C12 | C13 | H13A | 51.1° | 54.6° |
| C12 | O12 | C46 | C45 | 160.0° | 168.2° |
| H12 | C12 | O12 | C46 | 6.2° | 51.6° |
| H12 | C12 | C13 | C14 | 65.6° | 65.3° |
| H12 | C12 | C13 | H13 | 54.7° | 54.8° |
| H12 | C12 | C13 | H13A | 174.0° | 174.7° |
| O12 | C46 | C45 | C44 | 126.3° | 59.0° |
| O12 | C46 | C45 | C47 | 117.9° | 179.4° |
| O12 | C46 | C45 | H45 | 5.3° | 61.9° |
| C14 | C13 | H13 | H13A | 119.0° | 119.7° |
| C13 | C14 | C15 | O14 | 121.6° | 119.3° |
| C13 | C14 | C15 | H14 | 117.8° | 120.5° |
| C13 | C14 | O14 | H14 | 122.2° | 120.4° |
| C13 | C14 | C15 | C16 | 71.8° | 83.2° |
| C13 | C14 | C15 | H15 | 48.1° | 37.1° |
| C13 | C14 | C15 | H15A | 168.2° | 156.5° |
| H13 | C13 | C14 | C15 | 69.1° | 64.5° |
| H13 | C13 | C14 | O14 | 171.6° | 176.7° |
| H13 | C13 | C14 | H14 | 48.7° | 56.3° |
| H13A | C13 | C14 | C15 | 50.3° | 55.2° |
| H13A | C13 | C14 | O14 | 69.1° | 63.5° |
| H13A | C13 | C14 | H14 | 168.1° | 176.1° |
| O13 | C47 | C39 | C38 | 48.9° | 54.1° |
| O13 | C47 | C39 | C40 | 130.2° | 126.2° |
| O13 | C47 | C39 | C41 | 115.6° | 119.2° |
| O13 | C47 | C39 | C45 | 124.3° | 121.0° |
| O13 | C47 | C41 | C45 | 122.3° | 122.7° |
| O13 | C47 | C41 | C42 | 91.8° | 115.1° |
| O13 | C47 | C41 | H41 | 29.0° | 5.3° |
| O13 | C47 | C45 | C44 | 66.8° | 66.9° |
| O13 | C47 | C45 | C46 | 49.1° | 55.0° |
| O13 | C47 | C45 | H45 | 172.5° | 174.5° |
| HO13 | O13 | C47 | C39 | 104.3° | 61.5° |
| HO13 | O13 | C47 | C41 | 146.2° | 177.8° |
| HO13 | O13 | C47 | C45 | 22.3° | 59.0° |
| C15 | C14 | O14 | H14 | 119.8° | 120.4° |
| C14 | C15 | C16 | H15 | 119.9° | 120.4° |
| C14 | C15 | C16 | H15A | 119.9° | 120.3° |
| C14 | C15 | H15 | H15A | 120.2° | 119.5° |
| C14 | C15 | C16 | C17 | 147.4° | 118.0° |
| C14 | C15 | C16 | H16 | 32.6° | 61.9° |
| O14 | C14 | C15 | C16 | 166.6° | 157.4° |
| O14 | C14 | C15 | H15 | 73.5° | 82.2° |
| O14 | C14 | C15 | H15A | 46.6° | 37.2° |
| H14 | C14 | C15 | C16 | 46.0° | 37.3° |
| H14 | C14 | C15 | H15 | 165.9° | 157.6° |
| H14 | C14 | C15 | H15A | 73.9° | 83.0° |
| C16 | C15 | H15 | H15A | 120.3° | 119.3° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.7° | 1.5° |
| C15 | C16 | C17 | C19 | 179.8° | 178.9° |
| H15 | C15 | C16 | C17 | 27.4° | 2.4° |
| H15 | C15 | C16 | H16 | 152.6° | 177.7° |
| H15A | C15 | C16 | C17 | 92.7° | 121.7° |
| H15A | C15 | C16 | H16 | 87.3° | 58.4° |
| C16 | C17 | C18 | C19 | 179.1° | 179.6° |
| C16 | C17 | C18 | H18 | 180.0° | 63.2° |
| C16 | C17 | C18 | H18A | 60.0° | 176.8° |
| C16 | C17 | C18 | H18B | 60.0° | 56.8° |
| C16 | C17 | C19 | C34 | 93.9° | 129.0° |
| C16 | C17 | C19 | H19 | 147.4° | 111.0° |
| H16 | C16 | C17 | C18 | 179.3° | 178.4° |
| H16 | C16 | C17 | C19 | 0.2° | 1.2° |
| C17 | C18 | H18 | H18A | 120.0° | 120.0° |
| C17 | C18 | H18 | H18B | 120.0° | 120.0° |
| C17 | C18 | H18A | H18B | 120.0° | 120.0° |
| C18 | C17 | C19 | C34 | 85.2° | 50.6° |
| C18 | C17 | C19 | H19 | 33.5° | 69.4° |
| C19 | C17 | C18 | H18 | 0.9° | 117.2° |
| C19 | C17 | C18 | H18A | 119.1° | 2.8° |
| C19 | C17 | C18 | H18B | 120.9° | 122.8° |
| C17 | C19 | C34 | H19 | 118.9° | 119.9° |
| C17 | C19 | C34 | C35 | 174.6° | 164.7° |
| C17 | C19 | C34 | C36 | 54.7° | 45.0° |
| C17 | C19 | C34 | H34 | 65.3° | 74.9° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| C19 | C34 | C35 | C36 | 120.0° | 119.0° |
| C19 | C34 | C35 | H34 | 120.1° | 120.5° |
| C19 | C34 | C36 | H34 | 119.9° | 119.8° |
| C19 | C34 | C35 | H35 | 180.0° | 60.0° |
| C19 | C34 | C35 | H35A | 60.0° | 180.0° |
| C19 | C34 | C35 | H35B | 60.0° | 60.0° |
| C19 | C34 | C36 | C37 | 160.0° | 155.4° |
| C19 | C34 | C36 | H36 | 20.0° | 24.7° |
| H19 | C19 | C34 | C35 | 66.6° | 75.4° |
| H19 | C19 | C34 | C36 | 173.6° | 164.9° |
| H19 | C19 | C34 | H34 | 53.6° | 45.0° |
| C20 | C21 | C22 | H21 | 120.2° | 119.9° |
| C20 | C21 | C22 | H21A | 120.2° | 119.9° |
| C20 | C21 | H21 | H21A | 119.4° | 120.2° |
| C20 | C21 | C22 | C24 | 54.2° | 57.0° |
| C20 | C21 | C22 | H22 | 64.2° | 63.0° |
| H20 | C20 | C21 | C22 | 173.4° | 177.6° |
| H20 | C20 | C21 | H21 | 53.2° | 57.7° |
| H20 | C20 | C21 | H21A | 66.4° | 62.5° |
| C22 | C21 | H21 | H21A | 119.4° | 120.1° |
| C21 | C22 | C24 | H22 | 118.3° | 119.9° |
| C21 | C22 | C24 | C32 | 57.0° | 57.1° |
| C21 | C22 | C24 | H24 | 62.2° | 63.0° |
| H21 | C21 | C22 | C24 | 66.0° | 62.9° |
| H21 | C21 | C22 | H22 | 175.6° | 177.1° |
| H21A | C21 | C22 | C24 | 174.4° | 176.9° |
| H21A | C21 | C22 | H22 | 56.0° | 56.9° |
| C22 | C24 | C32 | H24 | 119.3° | 120.0° |
| C22 | C24 | C32 | C33 | 179.6° | 177.6° |
| C22 | C24 | C32 | H32 | 59.8° | 62.3° |
| H22 | C22 | C24 | C32 | 61.3° | 62.9° |
| H22 | C22 | C24 | H24 | 179.4° | 177.1° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
| C24 | C32 | C33 | H32 | 119.8° | 120.1° |
| C24 | C32 | C33 | H33 | 59.7° | 53.6° |
| C24 | C32 | C33 | H33A | 179.7° | 66.5° |
| C24 | C32 | C33 | H33B | 60.3° | 173.6° |
| H24 | C24 | C32 | C33 | 61.1° | 57.6° |
| H24 | C24 | C32 | H32 | 179.1° | 177.7° |
| C25 | C26 | C27 | H26 | 120.3° | 119.9° |
| C25 | C26 | C27 | H26A | 120.3° | 119.9° |
| C25 | C26 | H26 | H26A | 119.1° | 120.1° |
| C25 | C26 | C27 | C29 | 47.9° | 57.0° |
| C25 | C26 | C27 | H27 | 71.2° | 63.0° |
| H25 | C25 | C26 | C27 | 173.6° | 177.6° |
| H25 | C25 | C26 | H26 | 53.3° | 57.7° |
| H25 | C25 | C26 | H26A | 66.1° | 62.5° |
| C27 | C26 | H26 | H26A | 119.1° | 120.2° |
| C26 | C27 | C29 | H27 | 119.1° | 119.9° |
| C26 | C27 | C29 | C30 | 49.4° | 57.0° |
| C26 | C27 | C29 | H29 | 70.2° | 63.0° |
| H26 | C26 | C27 | C29 | 72.4° | 62.9° |
| H26 | C26 | C27 | H27 | 168.5° | 177.1° |
| H26A | C26 | C27 | C29 | 168.2° | 176.9° |
| H26A | C26 | C27 | H27 | 49.1° | 56.9° |
| C27 | C29 | C30 | H29 | 119.5° | 119.9° |
| C27 | C29 | C30 | C31 | 179.0° | 177.5° |
| C27 | C29 | C30 | H30 | 62.4° | 62.4° |
| H27 | C27 | C29 | C30 | 69.8° | 62.9° |
| H27 | C27 | C29 | H29 | 170.7° | 177.1° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| C29 | C30 | C31 | H30 | 118.6° | 120.1° |
| C29 | C30 | C31 | H31 | 58.2° | 62.8° |
| C29 | C30 | C31 | H31A | 178.2° | 57.2° |
| C29 | C30 | C31 | H31B | 61.8° | 177.1° |
| H29 | C29 | C30 | C31 | 59.6° | 57.6° |
| H29 | C29 | C30 | H30 | 178.1° | 177.7° |
| C30 | C31 | H31 | H31A | 120.0° | 120.0° |
| C30 | C31 | H31 | H31B | 120.0° | 120.0° |
| C30 | C31 | H31A | H31B | 120.0° | 119.9° |
| H30 | C30 | C31 | H31 | 60.4° | 177.1° |
| H30 | C30 | C31 | H31A | 59.6° | 62.9° |
| H30 | C30 | C31 | H31B | 179.6° | 57.0° |
| H31 | C31 | H31A | H31B | 120.0° | 120.1° |
| C32 | C33 | H33 | H33A | 120.0° | 120.0° |
| C32 | C33 | H33 | H33B | 120.0° | 120.0° |
| C32 | C33 | H33A | H33B | 120.0° | 119.9° |
| H32 | C32 | C33 | H33 | 60.1° | 173.7° |
| H32 | C32 | C33 | H33A | 59.9° | 53.6° |
| H32 | C32 | C33 | H33B | 179.9° | 66.3° |
| H33 | C33 | H33A | H33B | 120.0° | 120.1° |
| C35 | C34 | C36 | H34 | 119.7° | 120.5° |
| C34 | C35 | H35 | H35A | 120.0° | 120.0° |
| C34 | C35 | H35 | H35B | 120.0° | 120.0° |
| C34 | C35 | H35A | H35B | 120.0° | 119.9° |
| C35 | C34 | C36 | C37 | 79.6° | 84.9° |
| C35 | C34 | C36 | H36 | 100.4° | 95.0° |
| C36 | C34 | C35 | H35 | 60.0° | 59.0° |
| C36 | C34 | C35 | H35A | 180.0° | 61.0° |
| C36 | C34 | C35 | H35B | 60.1° | 179.0° |
| C34 | C36 | C37 | H36 | 180.0° | 179.9° |
| C34 | C36 | C37 | C38 | 179.9° | 178.3° |
| C34 | C36 | C37 | H37 | 0.1° | 2.4° |
| H34 | C34 | C35 | H35 | 59.8° | 179.6° |
| H34 | C34 | C35 | H35A | 60.1° | 59.5° |
| H34 | C34 | C35 | H35B | 179.9° | 60.4° |
| H34 | C34 | C36 | C37 | 40.1° | 35.6° |
| H34 | C34 | C36 | H36 | 139.9° | 144.5° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.3° |
| C36 | C37 | C38 | C39 | 171.6° | 171.9° |
| C36 | C37 | C38 | H38 | 8.4° | 8.6° |
| H36 | C36 | C37 | C38 | 0.1° | 1.7° |
| H36 | C36 | C37 | H37 | 179.9° | 177.5° |
| C37 | C38 | C39 | H38 | 180.0° | 179.5° |
| C37 | C38 | C39 | C40 | 0.2° | 2.8° |
| C37 | C38 | C39 | C47 | 179.2° | 176.9° |
| H37 | C37 | C38 | C39 | 8.4° | 8.8° |
| H37 | C37 | C38 | H38 | 171.6° | 170.6° |
| C38 | C39 | C40 | C47 | 179.1° | 179.7° |
| C38 | C39 | C40 | H40 | 64.0° | 53.7° |
| C38 | C39 | C40 | H40A | 58.3° | 66.4° |
| C38 | C39 | C47 | C41 | 164.5° | 173.3° |
| C38 | C39 | C47 | C45 | 75.4° | 66.9° |
| H38 | C38 | C39 | C40 | 179.8° | 176.7° |
| H38 | C38 | C39 | C47 | 0.8° | 3.7° |
| C39 | C40 | H40 | H40A | 123.3° | 120.2° |
| C40 | C39 | C47 | C41 | 14.6° | 7.0° |
| C40 | C39 | C47 | C45 | 105.5° | 112.8° |
| C47 | C39 | C40 | H40 | 115.1° | 126.6° |
| C47 | C39 | C40 | H40A | 122.6° | 113.3° |
| C39 | C47 | C41 | C45 | 121.0° | 118.5° |
| C39 | C47 | C41 | C42 | 151.5° | 126.1° |
| C39 | C47 | C41 | H41 | 87.8° | 113.5° |
| C39 | C47 | C45 | C44 | 168.1° | 172.3° |
| C39 | C47 | C45 | C46 | 75.9° | 65.7° |
| C39 | C47 | C45 | H45 | 47.4° | 53.7° |
| C47 | C41 | C42 | H41 | 120.8° | 120.6° |
| C47 | C41 | C42 | C43 | 7.1° | 43.8° |
| C47 | C41 | C42 | H42 | 129.4° | 164.1° |
| C41 | C47 | C45 | C44 | 55.4° | 55.8° |
| C41 | C47 | C45 | C46 | 171.4° | 177.8° |
| C41 | C47 | C45 | H45 | 65.3° | 62.7° |
| C41 | C42 | C43 | H42 | 122.1° | 120.4° |
| C41 | C42 | C43 | C44 | 18.5° | 50.9° |
| C41 | C42 | C43 | C48 | 161.3° | 129.1° |
| C42 | C41 | C47 | C45 | 30.5° | 7.6° |
| H41 | C41 | C42 | C43 | 113.6° | 76.8° |
| H41 | C41 | C42 | H42 | 8.7° | 43.5° |
| H41 | C41 | C47 | C45 | 151.3° | 128.0° |
| C42 | C43 | C44 | C48 | 179.7° | 180.0° |
| C42 | C43 | C44 | C45 | 10.8° | 0.5° |
| C42 | C43 | C44 | H44 | 169.2° | 179.6° |
| C42 | C43 | C48 | H48 | 180.0° | 90.0° |
| C42 | C43 | C48 | H48A | 60.0° | 150.0° |
| C42 | C43 | C48 | H48B | 60.0° | 30.0° |
| H42 | C42 | C43 | C44 | 140.5° | 171.3° |
| H42 | C42 | C43 | C48 | 39.2° | 8.7° |
| C43 | C44 | C45 | H44 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 166.7° | 174.6° |
| C43 | C44 | C45 | C47 | 48.3° | 53.4° |
| C43 | C44 | C45 | H45 | 72.2° | 64.5° |
| C44 | C43 | C48 | H48 | 0.2° | 90.0° |
| C44 | C43 | C48 | H48A | 120.3° | 30.0° |
| C44 | C43 | C48 | H48B | 119.8° | 150.0° |
| C48 | C43 | C44 | C45 | 169.4° | 179.6° |
| C48 | C43 | C44 | H44 | 10.6° | 0.4° |
| C43 | C48 | H48 | H48A | 120.0° | 120.0° |
| C43 | C48 | H48 | H48B | 120.0° | 120.0° |
| C43 | C48 | H48A | H48B | 120.0° | 120.0° |
| C44 | C45 | C46 | C47 | 115.9° | 120.5° |
| C44 | C45 | C46 | H45 | 121.0° | 120.9° |
| C44 | C45 | C47 | H45 | 120.7° | 118.6° |
| H44 | C44 | C45 | C46 | 13.3° | 5.4° |
| H44 | C44 | C45 | C47 | 131.7° | 126.5° |
| H44 | C44 | C45 | H45 | 107.8° | 115.6° |
| C46 | C45 | C47 | H45 | 123.3° | 119.5° |
| H48 | C48 | H48A | H48B | 120.0° | 119.9° |
