LMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.13Å | 1.13Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.63Å | 1.63Å | |
| C2 | C30 | sing | 1.10Å | 1.10Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| O2 | C13 | sing | 1.57Å | 1.57Å | |
| C4 | C3 | sing | 1.56Å | 1.56Å | |
| O3 | C3 | sing | 1.50Å | 1.50Å | |
| C3 | H3 | sing | 1.10Å | 1.10Å | |
| C14 | O3 | sing | 1.45Å | 1.45Å | |
| C5 | C4 | sing | 1.59Å | 1.59Å | |
| C4 | C31 | sing | 1.55Å | 1.55Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| C18 | O4 | sing | 1.49Å | 1.49Å | |
| O4 | C14 | sing | 1.45Å | 1.45Å | |
| O7 | C5 | sing | 1.49Å | 1.49Å | |
| C6 | C5 | sing | 1.61Å | 1.61Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| O5 | C16 | sing | 1.34Å | 1.34Å | |
| O5 | C20 | sing | 1.42Å | 1.42Å | |
| C32 | C6 | sing | 1.38Å | 1.38Å | |
| C6 | C7 | sing | 1.44Å | 1.44Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| C8 | C7 | sing | 1.54Å | 1.54Å | |
| C7 | H7 | sing | 1.10Å | 1.10Å | |
| C7 | H7A | sing | 1.10Å | 1.10Å | |
| C22 | O7 | sing | 1.43Å | 1.43Å | |
| O53 | C8 | sing | 1.25Å | 1.25Å | |
| C33 | C8 | sing | 1.41Å | 1.41Å | |
| C8 | C9 | sing | 1.41Å | 1.41Å | |
| O11 | C9 | doub | 1.22Å | 1.22Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C26 | O9 | sing | 1.46Å | 1.46Å | |
| O9 | C22 | sing | 1.46Å | 1.46Å | |
| C10 | C34 | sing | 1.55Å | 1.55Å | |
| C10 | C11 | sing | 1.56Å | 1.56Å | |
| C10 | H10 | sing | 1.10Å | 1.10Å | |
| C11 | O12 | sing | 1.45Å | 1.45Å | |
| C11 | C12 | sing | 1.58Å | 1.58Å | |
| C11 | H11 | sing | 1.10Å | 1.10Å | |
| C35 | C12 | sing | 1.36Å | 1.36Å | |
| C12 | C13 | sing | 1.44Å | 1.44Å | |
| C12 | H12 | sing | 1.10Å | 1.10Å | |
| O12 | C54 | sing | 1.39Å | 1.39Å | |
| C13 | C36 | sing | 1.55Å | 1.55Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| C14 | C15 | sing | 1.55Å | 1.55Å | |
| C14 | H14 | sing | 1.10Å | 1.10Å | |
| C16 | C15 | sing | 1.57Å | 1.57Å | |
| C15 | H15 | sing | 1.10Å | 1.10Å | |
| C15 | H15A | sing | 1.10Å | 1.10Å | |
| C17 | C16 | sing | 1.41Å | 1.41Å | |
| C16 | C19 | sing | 1.38Å | 1.38Å | |
| C18 | C17 | sing | 1.54Å | 1.54Å | |
| C17 | O51 | sing | 1.37Å | 1.37Å | |
| C17 | H17 | sing | 1.10Å | 1.10Å | |
| C29 | O17 | sing | 1.46Å | 1.46Å | |
| O17 | C24 | sing | 1.51Å | 1.51Å | |
| C21 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | H18 | sing | 1.10Å | 1.10Å | |
| C19 | H19 | sing | 1.10Å | 1.10Å | |
| C19 | H19A | sing | 1.10Å | 1.10Å | |
| C19 | H19B | sing | 1.10Å | 1.10Å | |
| C20 | H20 | sing | 1.10Å | 1.10Å | |
| C20 | H20A | sing | 1.10Å | 1.10Å | |
| C20 | H20B | sing | 1.10Å | 1.10Å | |
| C21 | H21 | sing | 1.10Å | 1.10Å | |
| C21 | H21A | sing | 1.10Å | 1.10Å | |
| C21 | H21B | sing | 1.10Å | 1.10Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | H22 | sing | 1.10Å | 1.10Å | |
| C24 | C23 | sing | 1.55Å | 1.55Å | |
| C23 | C40 | sing | 1.43Å | 1.43Å | |
| C23 | H23 | sing | 1.10Å | 1.10Å | |
| C25 | C24 | sing | 1.55Å | 1.55Å | |
| C24 | H24 | sing | 1.10Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H25 | sing | 1.10Å | 1.10Å | |
| C25 | H25A | sing | 1.10Å | 1.10Å | |
| C27 | C26 | sing | 1.50Å | 1.50Å | |
| C26 | H26 | sing | 1.10Å | 1.10Å | |
| C27 | H27 | sing | 1.10Å | 1.10Å | |
| C27 | H27A | sing | 1.10Å | 1.10Å | |
| C27 | H27B | sing | 1.10Å | 1.10Å | |
| C29 | H29 | sing | 1.10Å | 1.10Å | |
| C29 | H29A | sing | 1.10Å | 1.10Å | |
| C29 | H29B | sing | 1.10Å | 1.10Å | |
| C30 | H30 | sing | 1.10Å | 1.10Å | |
| C30 | H30A | sing | 1.10Å | 1.10Å | |
| C30 | H30B | sing | 1.10Å | 1.10Å | |
| C31 | H31 | sing | 1.10Å | 1.10Å | |
| C31 | H31A | sing | 1.10Å | 1.10Å | |
| C31 | H31B | sing | 1.10Å | 1.10Å | |
| C32 | H32 | sing | 1.10Å | 1.10Å | |
| C32 | H32A | sing | 1.10Å | 1.10Å | |
| C32 | H32B | sing | 1.10Å | 1.10Å | |
| C33 | H33 | sing | 1.10Å | 1.10Å | |
| C33 | H33A | sing | 1.10Å | 1.10Å | |
| C33 | H33B | sing | 1.10Å | 1.10Å | |
| C34 | H34 | sing | 1.10Å | 1.10Å | |
| C34 | H34A | sing | 1.10Å | 1.10Å | |
| C34 | H34B | sing | 1.10Å | 1.10Å | |
| C35 | H35 | sing | 1.10Å | 1.10Å | |
| C35 | H35A | sing | 1.10Å | 1.10Å | |
| C35 | H35B | sing | 1.10Å | 1.10Å | |
| C36 | C57 | sing | 1.51Å | 1.51Å | |
| C36 | C37 | sing | 1.52Å | 1.52Å | |
| C36 | H36 | sing | 1.10Å | 1.10Å | |
| C37 | H37 | sing | 1.10Å | 1.10Å | |
| C37 | H37A | sing | 1.10Å | 1.10Å | |
| C37 | H37B | sing | 1.10Å | 1.10Å | |
| C40 | H40 | sing | 1.10Å | 1.10Å | |
| C40 | H40A | sing | 1.10Å | 1.10Å | |
| C40 | H40B | sing | 1.10Å | 1.10Å | |
| C53 | C51 | sing | 1.49Å | 1.49Å | |
| C51 | O52 | doub | 1.37Å | 1.37Å | |
| C51 | O51 | sing | 1.38Å | 1.38Å | |
| C53 | H53 | sing | 1.10Å | 1.10Å | |
| C53 | H53A | sing | 1.10Å | 1.10Å | |
| C53 | H53B | sing | 1.10Å | 1.10Å | |
| O53 | HO53 | sing | 0.95Å | 0.95Å | |
| C54 | C56 | sing | 1.50Å | 1.50Å | |
| C54 | O55 | doub | 1.38Å | 1.38Å | |
| C56 | H56 | sing | 1.10Å | 1.10Å | |
| C56 | H56A | sing | 1.10Å | 1.10Å | |
| C56 | H56B | sing | 1.10Å | 1.10Å | |
| C57 | C58 | sing | 1.49Å | 1.49Å | |
| C57 | O57 | sing | 1.37Å | 1.37Å | |
| C57 | H57 | sing | 1.10Å | 1.10Å | |
| O57 | HO57 | sing | 0.95Å | 0.95Å | |
| C58 | H58 | sing | 1.10Å | 1.10Å | |
| C58 | H58A | sing | 1.10Å | 1.10Å | |
| C58 | H58B | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 124.8° | 124.8° |
| C2 | C1 | O2 | 113.5° | 113.5° |
| C1 | C2 | C3 | 104.4° | 104.4° |
| C1 | C2 | C30 | 107.6° | 107.6° |
| C1 | C2 | H2 | 116.5° | 116.5° |
| O1 | C1 | O2 | 121.3° | 121.3° |
| C1 | O2 | C13 | 120.6° | 120.6° |
| C3 | C2 | C30 | 116.3° | 116.3° |
| C3 | C2 | H2 | 107.9° | 107.9° |
| C2 | C3 | C4 | 110.1° | 110.1° |
| C2 | C3 | O3 | 111.9° | 111.9° |
| C2 | C3 | H3 | 106.8° | 106.8° |
| C30 | C2 | H2 | 104.7° | 104.7° |
| C2 | C30 | H30 | 109.5° | 109.5° |
| C2 | C30 | H30A | 109.5° | 109.5° |
| C2 | C30 | H30B | 109.5° | 109.5° |
| O2 | C13 | C12 | 106.2° | 106.2° |
| O2 | C13 | C36 | 106.4° | 106.4° |
| O2 | C13 | H13 | 115.2° | 115.2° |
| C4 | C3 | O3 | 107.7° | 107.7° |
| C4 | C3 | H3 | 111.1° | 111.1° |
| C3 | C4 | C5 | 113.6° | 113.6° |
| C3 | C4 | C31 | 109.8° | 109.8° |
| C3 | C4 | H4 | 107.2° | 107.2° |
| O3 | C3 | H3 | 109.3° | 109.3° |
| C3 | O3 | C14 | 114.7° | 114.7° |
| O3 | C14 | O4 | 115.0° | 115.0° |
| O3 | C14 | C15 | 109.8° | 109.8° |
| O3 | C14 | H14 | 105.6° | 105.6° |
| C5 | C4 | C31 | 111.8° | 111.8° |
| C5 | C4 | H4 | 105.0° | 105.0° |
| C4 | C5 | O7 | 112.9° | 112.9° |
| C4 | C5 | C6 | 110.9° | 110.9° |
| C4 | C5 | H5 | 105.2° | 105.2° |
| C31 | C4 | H4 | 109.2° | 109.2° |
| C4 | C31 | H31 | 109.5° | 109.5° |
| C4 | C31 | H31A | 109.5° | 109.5° |
| C4 | C31 | H31B | 109.5° | 109.5° |
| C18 | O4 | C14 | 118.3° | 118.3° |
| O4 | C18 | C17 | 111.0° | 111.0° |
| O4 | C18 | C21 | 106.3° | 106.3° |
| O4 | C18 | H18 | 112.5° | 112.5° |
| O4 | C14 | C15 | 110.1° | 110.1° |
| O4 | C14 | H14 | 105.3° | 105.3° |
| O7 | C5 | C6 | 106.7° | 106.7° |
| O7 | C5 | H5 | 109.6° | 109.6° |
| C5 | O7 | C22 | 119.2° | 119.2° |
| C6 | C5 | H5 | 111.6° | 111.6° |
| C5 | C6 | C32 | 112.3° | 112.3° |
| C5 | C6 | C7 | 111.5° | 111.5° |
| C5 | C6 | H6 | 106.6° | 106.6° |
| C16 | O5 | C20 | 119.8° | 119.8° |
| O5 | C16 | C15 | 112.5° | 112.5° |
| O5 | C16 | C17 | 107.0° | 107.0° |
| O5 | C16 | C19 | 109.6° | 109.6° |
| O5 | C20 | H20 | 109.5° | 109.5° |
| O5 | C20 | H20A | 109.5° | 109.5° |
| O5 | C20 | H20B | 109.5° | 109.5° |
| C32 | C6 | C7 | 110.8° | 110.8° |
| C32 | C6 | H6 | 107.3° | 107.3° |
| C6 | C32 | H32 | 109.5° | 109.5° |
| C6 | C32 | H32A | 109.5° | 109.5° |
| C6 | C32 | H32B | 109.5° | 109.5° |
| C7 | C6 | H6 | 108.2° | 108.2° |
| C6 | C7 | C8 | 117.3° | 117.3° |
| C6 | C7 | H7 | 107.0° | 107.0° |
| C6 | C7 | H7A | 107.0° | 107.0° |
| C8 | C7 | H7 | 106.9° | 106.9° |
| C8 | C7 | H7A | 106.9° | 106.9° |
| C7 | C8 | O53 | 107.6° | 107.6° |
| C7 | C8 | C33 | 109.5° | 109.5° |
| C7 | C8 | C9 | 115.2° | 115.2° |
| H7 | C7 | H7A | 111.9° | 111.9° |
| O7 | C22 | O9 | 109.8° | 109.8° |
| O7 | C22 | C23 | 110.1° | 110.1° |
| O7 | C22 | H22 | 109.1° | 109.1° |
| O53 | C8 | C33 | 107.9° | 107.9° |
| O53 | C8 | C9 | 107.8° | 107.8° |
| C8 | O53 | HO53 | 109.5° | 109.5° |
| C33 | C8 | C9 | 108.7° | 108.7° |
| C8 | C33 | H33 | 109.5° | 109.5° |
| C8 | C33 | H33A | 109.4° | 109.4° |
| C8 | C33 | H33B | 109.5° | 109.5° |
| C8 | C9 | O11 | 118.8° | 118.8° |
| C8 | C9 | C10 | 121.4° | 121.4° |
| O11 | C9 | C10 | 119.7° | 119.7° |
| C9 | C10 | C34 | 107.9° | 107.9° |
| C9 | C10 | C11 | 108.5° | 108.5° |
| C9 | C10 | H10 | 112.9° | 112.9° |
| C26 | O9 | C22 | 113.8° | 113.8° |
| O9 | C26 | C25 | 109.6° | 109.6° |
| O9 | C26 | C27 | 107.9° | 107.9° |
| O9 | C26 | H26 | 111.0° | 111.0° |
| O9 | C22 | C23 | 110.2° | 110.2° |
| O9 | C22 | H22 | 109.0° | 109.0° |
| C34 | C10 | C11 | 114.3° | 114.3° |
| C34 | C10 | H10 | 107.0° | 107.0° |
| C10 | C34 | H34 | 109.5° | 109.5° |
| C10 | C34 | H34A | 109.5° | 109.5° |
| C10 | C34 | H34B | 109.5° | 109.4° |
| C11 | C10 | H10 | 106.3° | 106.3° |
| C10 | C11 | O12 | 111.0° | 111.0° |
| C10 | C11 | C12 | 117.1° | 117.1° |
| C10 | C11 | H11 | 101.9° | 101.9° |
| O12 | C11 | C12 | 106.3° | 106.3° |
| O12 | C11 | H11 | 113.6° | 113.6° |
| C11 | O12 | C54 | 119.6° | 119.6° |
| C12 | C11 | H11 | 107.0° | 107.0° |
| C11 | C12 | C35 | 112.2° | 112.2° |
| C11 | C12 | C13 | 108.5° | 108.5° |
| C11 | C12 | H12 | 109.1° | 109.1° |
| C35 | C12 | C13 | 112.0° | 112.0° |
| C35 | C12 | H12 | 105.4° | 105.4° |
| C12 | C35 | H35 | 109.5° | 109.5° |
| C12 | C35 | H35A | 109.5° | 109.5° |
| C12 | C35 | H35B | 109.5° | 109.5° |
| C13 | C12 | H12 | 109.4° | 109.4° |
| C12 | C13 | C36 | 114.2° | 114.2° |
| C12 | C13 | H13 | 107.6° | 107.6° |
| O12 | C54 | C56 | 119.5° | 119.5° |
| O12 | C54 | O55 | 119.4° | 119.4° |
| C36 | C13 | H13 | 107.3° | 107.3° |
| C13 | C36 | C57 | 109.4° | 109.4° |
| C13 | C36 | C37 | 109.5° | 109.5° |
| C13 | C36 | H36 | 109.5° | 109.5° |
| C15 | C14 | H14 | 111.0° | 111.0° |
| C14 | C15 | C16 | 115.2° | 115.2° |
| C14 | C15 | H15 | 107.6° | 107.6° |
| C14 | C15 | H15A | 107.6° | 107.6° |
| C16 | C15 | H15 | 107.6° | 107.6° |
| C16 | C15 | H15A | 107.6° | 107.6° |
| C15 | C16 | C17 | 106.3° | 106.3° |
| C15 | C16 | C19 | 109.8° | 109.8° |
| H15 | C15 | H15A | 111.3° | 111.3° |
| C17 | C16 | C19 | 111.6° | 111.6° |
| C16 | C17 | C18 | 109.3° | 109.3° |
| C16 | C17 | O51 | 109.5° | 109.5° |
| C16 | C17 | H17 | 109.5° | 109.5° |
| C16 | C19 | H19 | 109.5° | 109.5° |
| C16 | C19 | H19A | 109.4° | 109.4° |
| C16 | C19 | H19B | 109.5° | 109.5° |
| C18 | C17 | O51 | 109.4° | 109.4° |
| C18 | C17 | H17 | 109.6° | 109.6° |
| C17 | C18 | C21 | 114.6° | 114.6° |
| C17 | C18 | H18 | 103.9° | 103.9° |
| O51 | C17 | H17 | 109.5° | 109.5° |
| C17 | O51 | C51 | 119.4° | 119.4° |
| C29 | O17 | C24 | 114.8° | 114.8° |
| O17 | C29 | H29 | 109.5° | 109.5° |
| O17 | C29 | H29A | 109.5° | 109.5° |
| O17 | C29 | H29B | 109.5° | 109.5° |
| O17 | C24 | C23 | 110.1° | 110.1° |
| O17 | C24 | C25 | 114.4° | 114.4° |
| O17 | C24 | H24 | 104.6° | 104.6° |
| C21 | C18 | H18 | 108.7° | 108.7° |
| C18 | C21 | H21 | 109.5° | 109.5° |
| C18 | C21 | H21A | 109.5° | 109.5° |
| C18 | C21 | H21B | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.4° | 109.4° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.4° | 109.4° |
| H20 | C20 | H20B | 109.4° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H21 | C21 | H21A | 109.4° | 109.4° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| C23 | C22 | H22 | 108.7° | 108.7° |
| C22 | C23 | C24 | 111.1° | 111.1° |
| C22 | C23 | C40 | 111.1° | 111.1° |
| C22 | C23 | H23 | 107.6° | 107.6° |
| C24 | C23 | C40 | 110.4° | 110.4° |
| C24 | C23 | H23 | 108.3° | 108.3° |
| C23 | C24 | C25 | 106.5° | 106.5° |
| C23 | C24 | H24 | 112.9° | 112.9° |
| C40 | C23 | H23 | 108.3° | 108.2° |
| C23 | C40 | H40 | 109.5° | 109.5° |
| C23 | C40 | H40A | 109.4° | 109.4° |
| C23 | C40 | H40B | 109.5° | 109.5° |
| C25 | C24 | H24 | 108.4° | 108.4° |
| C24 | C25 | C26 | 110.2° | 110.2° |
| C24 | C25 | H25 | 109.2° | 109.2° |
| C24 | C25 | H25A | 109.3° | 109.2° |
| C26 | C25 | H25 | 109.3° | 109.3° |
| C26 | C25 | H25A | 109.2° | 109.2° |
| C25 | C26 | C27 | 111.1° | 111.1° |
| C25 | C26 | H26 | 107.8° | 107.8° |
| H25 | C25 | H25A | 109.7° | 109.7° |
| C27 | C26 | H26 | 109.5° | 109.5° |
| C26 | C27 | H27 | 109.5° | 109.5° |
| C26 | C27 | H27A | 109.4° | 109.5° |
| C26 | C27 | H27B | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.4° | 109.4° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| H29 | C29 | H29A | 109.5° | 109.5° |
| H29 | C29 | H29B | 109.4° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| H30 | C30 | H30A | 109.4° | 109.4° |
| H30 | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H31 | C31 | H31A | 109.5° | 109.5° |
| H31 | C31 | H31B | 109.5° | 109.5° |
| H31A | C31 | H31B | 109.5° | 109.5° |
| H32 | C32 | H32A | 109.5° | 109.5° |
| H32 | C32 | H32B | 109.4° | 109.4° |
| H32A | C32 | H32B | 109.5° | 109.5° |
| H33 | C33 | H33A | 109.5° | 109.4° |
| 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° | 109.5° |
| H34A | C34 | H34B | 109.4° | 109.4° |
| H35 | C35 | H35A | 109.5° | 109.5° |
| H35 | C35 | H35B | 109.4° | 109.4° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| C57 | C36 | C37 | 109.5° | 109.5° |
| C57 | C36 | H36 | 109.5° | 109.5° |
| C36 | C57 | C58 | 109.4° | 109.4° |
| C36 | C57 | O57 | 109.5° | 109.5° |
| C36 | C57 | H57 | 109.5° | 109.5° |
| C37 | C36 | H36 | 109.4° | 109.4° |
| C36 | C37 | H37 | 109.5° | 109.5° |
| C36 | C37 | H37A | 109.5° | 109.5° |
| C36 | C37 | H37B | 109.5° | 109.5° |
| H37 | C37 | H37A | 109.4° | 109.4° |
| H37 | C37 | H37B | 109.4° | 109.4° |
| H37A | C37 | H37B | 109.5° | 109.5° |
| H40 | C40 | H40A | 109.5° | 109.5° |
| H40 | C40 | H40B | 109.4° | 109.4° |
| H40A | C40 | H40B | 109.5° | 109.5° |
| C53 | C51 | O52 | 119.5° | 119.5° |
| C53 | C51 | O51 | 119.5° | 119.5° |
| C51 | C53 | H53 | 109.5° | 109.5° |
| C51 | C53 | H53A | 109.5° | 109.5° |
| C51 | C53 | H53B | 109.4° | 109.4° |
| O52 | C51 | O51 | 119.4° | 119.4° |
| H53 | C53 | H53A | 109.5° | 109.5° |
| H53 | C53 | H53B | 109.5° | 109.5° |
| H53A | C53 | H53B | 109.5° | 109.5° |
| C56 | C54 | O55 | 119.4° | 119.4° |
| C54 | C56 | H56 | 109.5° | 109.5° |
| C54 | C56 | H56A | 109.5° | 109.5° |
| C54 | C56 | H56B | 109.4° | 109.4° |
| H56 | C56 | H56A | 109.4° | 109.4° |
| H56 | C56 | H56B | 109.5° | 109.5° |
| H56A | C56 | H56B | 109.5° | 109.5° |
| C58 | C57 | O57 | 109.5° | 109.5° |
| C58 | C57 | H57 | 109.5° | 109.5° |
| C57 | C58 | H58 | 109.5° | 109.5° |
| C57 | C58 | H58A | 109.4° | 109.5° |
| C57 | C58 | H58B | 109.5° | 109.5° |
| O57 | C57 | H57 | 109.5° | 109.5° |
| C57 | O57 | HO57 | 109.5° | 109.5° |
| H58 | C58 | H58A | 109.5° | 109.4° |
| H58 | C58 | H58B | 109.5° | 109.5° |
| H58A | C58 | H58B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 173.0° | 173.0° |
| C1 | C2 | C3 | C30 | 118.3° | 118.3° |
| C1 | C2 | C3 | H2 | 124.5° | 124.5° |
| C1 | C2 | C30 | H2 | 124.5° | 124.5° |
| C2 | C1 | O2 | C13 | 172.9° | 172.9° |
| C1 | C2 | C3 | C4 | 92.6° | 92.6° |
| C1 | C2 | C3 | O3 | 147.7° | 147.7° |
| C1 | C2 | C3 | H3 | 28.1° | 28.1° |
| C1 | C2 | C30 | H30 | 180.0° | 180.0° |
| C1 | C2 | C30 | H30A | 60.0° | 60.0° |
| C1 | C2 | C30 | H30B | 60.0° | 60.0° |
| O1 | C1 | C2 | C3 | 63.3° | 63.3° |
| O1 | C1 | C2 | C30 | 60.8° | 60.8° |
| O1 | C1 | C2 | H2 | 177.9° | 177.9° |
| O1 | C1 | O2 | C13 | 13.3° | 13.3° |
| O2 | C1 | C2 | C3 | 123.2° | 123.2° |
| O2 | C1 | C2 | C30 | 112.7° | 112.7° |
| O2 | C1 | C2 | H2 | 4.4° | 4.4° |
| C1 | O2 | C13 | C12 | 119.4° | 119.4° |
| C1 | O2 | C13 | C36 | 118.5° | 118.5° |
| C1 | O2 | C13 | H13 | 0.3° | 0.3° |
| C3 | C2 | C30 | H2 | 118.9° | 118.9° |
| C2 | C3 | C4 | O3 | 122.3° | 122.3° |
| C2 | C3 | C4 | H3 | 118.1° | 118.1° |
| C2 | C3 | O3 | H3 | 118.1° | 118.1° |
| C2 | C3 | O3 | C14 | 103.1° | 103.1° |
| C2 | C3 | C4 | C5 | 173.8° | 173.8° |
| C2 | C3 | C4 | C31 | 60.3° | 60.3° |
| C2 | C3 | C4 | H4 | 58.2° | 58.2° |
| C3 | C2 | C30 | H30 | 63.4° | 63.4° |
| C3 | C2 | C30 | H30A | 56.6° | 56.6° |
| C3 | C2 | C30 | H30B | 176.6° | 176.6° |
| C30 | C2 | C3 | C4 | 149.1° | 149.1° |
| C30 | C2 | C3 | O3 | 29.3° | 29.3° |
| C30 | C2 | C3 | H3 | 90.3° | 90.3° |
| C2 | C30 | H30 | H30A | 120.0° | 120.0° |
| C2 | C30 | H30 | H30B | 120.0° | 120.0° |
| C2 | C30 | H30A | H30B | 120.0° | 120.0° |
| H2 | C2 | C3 | C4 | 31.9° | 31.9° |
| H2 | C2 | C3 | O3 | 87.8° | 87.8° |
| H2 | C2 | C3 | H3 | 152.6° | 152.6° |
| H2 | C2 | C30 | H30 | 55.5° | 55.5° |
| H2 | C2 | C30 | H30A | 175.4° | 175.4° |
| H2 | C2 | C30 | H30B | 64.5° | 64.5° |
| O2 | C13 | C12 | C11 | 82.0° | 82.0° |
| O2 | C13 | C12 | C35 | 42.5° | 42.5° |
| O2 | C13 | C12 | C36 | 117.0° | 117.0° |
| O2 | C13 | C12 | H13 | 123.9° | 123.9° |
| O2 | C13 | C12 | H12 | 159.0° | 159.0° |
| O2 | C13 | C36 | H13 | 123.9° | 123.9° |
| O2 | C13 | C36 | C57 | 160.6° | 160.6° |
| O2 | C13 | C36 | C37 | 40.5° | 40.5° |
| O2 | C13 | C36 | H36 | 79.4° | 79.4° |
| C4 | C3 | O3 | H3 | 120.7° | 120.7° |
| C4 | C3 | O3 | C14 | 135.7° | 135.7° |
| C3 | C4 | C5 | C31 | 124.8° | 124.8° |
| C3 | C4 | C5 | H4 | 116.9° | 116.9° |
| C3 | C4 | C31 | H4 | 117.3° | 117.3° |
| C3 | C4 | C5 | O7 | 135.6° | 135.6° |
| C3 | C4 | C5 | C6 | 104.7° | 104.7° |
| C3 | C4 | C5 | H5 | 16.2° | 16.2° |
| C3 | C4 | C31 | H31 | 180.0° | 180.0° |
| C3 | C4 | C31 | H31A | 60.0° | 60.0° |
| C3 | C4 | C31 | H31B | 60.0° | 60.0° |
| O3 | C3 | C4 | C5 | 64.0° | 64.0° |
| O3 | C3 | C4 | C31 | 61.9° | 61.9° |
| O3 | C3 | C4 | H4 | 179.6° | 179.6° |
| C3 | O3 | C14 | O4 | 93.5° | 93.5° |
| C3 | O3 | C14 | C15 | 141.8° | 141.8° |
| C3 | O3 | C14 | H14 | 22.1° | 22.1° |
| H3 | C3 | O3 | C14 | 15.0° | 15.0° |
| H3 | C3 | C4 | C5 | 55.6° | 55.6° |
| H3 | C3 | C4 | C31 | 178.5° | 178.5° |
| H3 | C3 | C4 | H4 | 59.9° | 59.9° |
| O3 | C14 | O4 | C18 | 85.8° | 85.8° |
| O3 | C14 | O4 | C15 | 124.6° | 124.6° |
| O3 | C14 | O4 | H14 | 115.7° | 115.7° |
| O3 | C14 | C15 | H14 | 116.3° | 116.3° |
| O3 | C14 | C15 | C16 | 84.3° | 84.3° |
| O3 | C14 | C15 | H15 | 155.7° | 155.7° |
| O3 | C14 | C15 | H15A | 35.7° | 35.7° |
| C5 | C4 | C31 | H4 | 115.8° | 115.8° |
| C4 | C5 | O7 | C6 | 122.1° | 122.1° |
| C4 | C5 | O7 | H5 | 116.9° | 116.9° |
| C4 | C5 | C6 | H5 | 117.0° | 117.0° |
| C4 | C5 | C6 | C32 | 176.0° | 176.0° |
| C4 | C5 | C6 | C7 | 59.0° | 59.0° |
| C4 | C5 | C6 | H6 | 58.9° | 58.9° |
| C4 | C5 | O7 | C22 | 123.9° | 123.9° |
| C5 | C4 | C31 | H31 | 53.1° | 53.1° |
| C5 | C4 | C31 | H31A | 66.9° | 66.9° |
| C5 | C4 | C31 | H31B | 173.1° | 173.1° |
| C31 | C4 | C5 | O7 | 10.8° | 10.8° |
| C31 | C4 | C5 | C6 | 130.5° | 130.5° |
| C31 | C4 | C5 | H5 | 108.7° | 108.7° |
| C4 | C31 | H31 | H31A | 120.0° | 120.0° |
| C4 | C31 | H31 | H31B | 120.0° | 120.0° |
| C4 | C31 | H31A | H31B | 120.0° | 120.0° |
| H4 | C4 | C5 | O7 | 107.5° | 107.5° |
| H4 | C4 | C5 | C6 | 12.2° | 12.2° |
| H4 | C4 | C5 | H5 | 133.0° | 133.0° |
| H4 | C4 | C31 | H31 | 62.7° | 62.7° |
| H4 | C4 | C31 | H31A | 177.3° | 177.3° |
| H4 | C4 | C31 | H31B | 57.3° | 57.3° |
| C18 | O4 | C14 | C15 | 38.8° | 38.8° |
| C18 | O4 | C14 | H14 | 158.5° | 158.5° |
| O4 | C18 | C17 | C16 | 61.5° | 61.5° |
| O4 | C18 | C17 | C21 | 120.5° | 120.5° |
| O4 | C18 | C17 | H18 | 121.1° | 121.1° |
| O4 | C18 | C17 | O51 | 58.4° | 58.4° |
| O4 | C18 | C17 | H17 | 178.4° | 178.4° |
| O4 | C18 | C21 | H18 | 121.3° | 121.3° |
| O4 | C18 | C21 | H21 | 180.0° | 180.0° |
| O4 | C18 | C21 | H21A | 60.0° | 60.0° |
| O4 | C18 | C21 | H21B | 60.0° | 60.0° |
| O4 | C14 | C15 | H14 | 116.1° | 116.1° |
| O4 | C14 | C15 | C16 | 43.2° | 43.2° |
| O4 | C14 | C15 | H15 | 76.8° | 76.8° |
| O4 | C14 | C15 | H15A | 163.2° | 163.2° |
| C14 | O4 | C18 | C17 | 47.7° | 47.7° |
| C14 | O4 | C18 | C21 | 172.9° | 172.9° |
| C14 | O4 | C18 | H18 | 68.2° | 68.2° |
| O7 | C5 | C6 | H5 | 119.7° | 119.7° |
| O7 | C5 | C6 | C32 | 60.7° | 60.7° |
| O7 | C5 | C6 | C7 | 64.4° | 64.4° |
| O7 | C5 | C6 | H6 | 177.8° | 177.8° |
| C5 | O7 | C22 | O9 | 58.8° | 58.8° |
| C5 | O7 | C22 | C23 | 179.8° | 179.8° |
| C5 | O7 | C22 | H22 | 60.6° | 60.6° |
| C5 | C6 | C32 | C7 | 125.4° | 125.4° |
| C5 | C6 | C32 | H6 | 116.7° | 116.7° |
| C5 | C6 | C7 | H6 | 116.9° | 116.9° |
| C5 | C6 | C7 | C8 | 173.9° | 173.9° |
| C5 | C6 | C7 | H7 | 66.1° | 66.1° |
| C5 | C6 | C7 | H7A | 53.9° | 53.9° |
| C6 | C5 | O7 | C22 | 114.0° | 114.0° |
| C5 | C6 | C32 | H32 | 180.0° | 180.0° |
| C5 | C6 | C32 | H32A | 60.0° | 60.0° |
| C5 | C6 | C32 | H32B | 60.0° | 60.0° |
| H5 | C5 | C6 | C32 | 59.0° | 59.0° |
| H5 | C5 | C6 | C7 | 176.0° | 176.0° |
| H5 | C5 | C6 | H6 | 58.2° | 58.2° |
| H5 | C5 | O7 | C22 | 7.0° | 7.0° |
| O5 | C16 | C15 | C14 | 58.4° | 58.4° |
| O5 | C16 | C15 | C17 | 116.8° | 116.8° |
| O5 | C16 | C15 | C19 | 122.3° | 122.3° |
| O5 | C16 | C15 | H15 | 178.4° | 178.4° |
| O5 | C16 | C15 | H15A | 61.6° | 61.6° |
| O5 | C16 | C17 | C19 | 119.8° | 119.8° |
| O5 | C16 | C17 | C18 | 55.8° | 55.8° |
| O5 | C16 | C17 | O51 | 175.7° | 175.7° |
| O5 | C16 | C17 | H17 | 64.3° | 64.3° |
| O5 | C16 | C19 | H19 | 180.0° | 180.0° |
| O5 | C16 | C19 | H19A | 60.0° | 60.0° |
| O5 | C16 | C19 | H19B | 60.0° | 60.0° |
| C16 | O5 | C20 | H20 | 180.0° | 180.0° |
| C16 | O5 | C20 | H20A | 60.0° | 60.0° |
| C16 | O5 | C20 | H20B | 60.0° | 60.0° |
| C20 | O5 | C16 | C15 | 77.3° | 77.3° |
| C20 | O5 | C16 | C17 | 166.3° | 166.3° |
| C20 | O5 | C16 | C19 | 45.1° | 45.1° |
| O5 | C20 | H20 | H20A | 120.0° | 120.0° |
| O5 | C20 | H20 | H20B | 120.0° | 120.0° |
| O5 | C20 | H20A | H20B | 120.0° | 120.0° |
| C32 | C6 | C7 | H6 | 117.3° | 117.3° |
| C32 | C6 | C7 | C8 | 60.3° | 60.3° |
| C32 | C6 | C7 | H7 | 59.7° | 59.7° |
| C32 | C6 | C7 | H7A | 179.7° | 179.7° |
| C6 | C32 | H32 | H32A | 120.0° | 120.0° |
| C6 | C32 | H32 | H32B | 120.0° | 120.0° |
| C6 | C32 | H32A | H32B | 120.0° | 120.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7A | 120.0° | 120.0° |
| C6 | C7 | H7 | H7A | 116.8° | 116.8° |
| C6 | C7 | C8 | O53 | 37.2° | 37.2° |
| C6 | C7 | C8 | C33 | 154.3° | 154.3° |
| C6 | C7 | C8 | C9 | 82.9° | 82.9° |
| C7 | C6 | C32 | H32 | 54.6° | 54.6° |
| C7 | C6 | C32 | H32A | 174.6° | 174.6° |
| C7 | C6 | C32 | H32B | 65.4° | 65.4° |
| H6 | C6 | C7 | C8 | 57.0° | 57.0° |
| H6 | C6 | C7 | H7 | 177.0° | 177.0° |
| H6 | C6 | C7 | H7A | 62.9° | 62.9° |
| H6 | C6 | C32 | H32 | 63.3° | 63.3° |
| H6 | C6 | C32 | H32A | 56.8° | 56.8° |
| H6 | C6 | C32 | H32B | 176.8° | 176.8° |
| C8 | C7 | H7 | H7A | 116.8° | 116.8° |
| C7 | C8 | O53 | C33 | 118.1° | 118.1° |
| C7 | C8 | O53 | C9 | 124.7° | 124.7° |
| C7 | C8 | C33 | C9 | 126.6° | 126.6° |
| C7 | C8 | C9 | O11 | 111.0° | 111.0° |
| C7 | C8 | C9 | C10 | 64.2° | 64.2° |
| C7 | C8 | C33 | H33 | 180.0° | 180.0° |
| C7 | C8 | C33 | H33A | 60.0° | 60.0° |
| C7 | C8 | C33 | H33B | 60.0° | 60.0° |
| C7 | C8 | O53 | HO53 | 120.4° | 120.4° |
| H7 | C7 | C8 | O53 | 82.8° | 82.8° |
| H7 | C7 | C8 | C33 | 34.3° | 34.3° |
| H7 | C7 | C8 | C9 | 157.1° | 157.1° |
| H7A | C7 | C8 | O53 | 157.2° | 157.2° |
| H7A | C7 | C8 | C33 | 85.8° | 85.8° |
| H7A | C7 | C8 | C9 | 37.0° | 37.0° |
| O7 | C22 | O9 | C26 | 178.8° | 178.8° |
| O7 | C22 | O9 | C23 | 121.3° | 121.3° |
| O7 | C22 | O9 | H22 | 119.5° | 119.5° |
| O7 | C22 | C23 | H22 | 119.4° | 119.4° |
| O7 | C22 | C23 | C24 | 178.2° | 178.2° |
| O7 | C22 | C23 | C40 | 58.5° | 58.5° |
| O7 | C22 | C23 | H23 | 59.8° | 59.8° |
| O53 | C8 | C33 | C9 | 116.6° | 116.6° |
| O53 | C8 | C9 | O11 | 9.1° | 9.1° |
| O53 | C8 | C9 | C10 | 175.7° | 175.7° |
| O53 | C8 | C33 | H33 | 63.2° | 63.2° |
| O53 | C8 | C33 | H33A | 56.8° | 56.8° |
| O53 | C8 | C33 | H33B | 176.8° | 176.8° |
| C33 | C8 | C9 | O11 | 125.8° | 125.8° |
| C33 | C8 | C9 | C10 | 59.0° | 59.0° |
| C8 | C33 | H33 | H33A | 120.0° | 120.0° |
| C8 | C33 | H33 | H33B | 120.0° | 120.0° |
| C8 | C33 | H33A | H33B | 120.0° | 120.0° |
| C33 | C8 | O53 | HO53 | 121.6° | 121.6° |
| C8 | C9 | O11 | C10 | 175.3° | 175.3° |
| C8 | C9 | C10 | C34 | 128.8° | 128.8° |
| C8 | C9 | C10 | C11 | 106.8° | 106.8° |
| C8 | C9 | C10 | H10 | 10.8° | 10.8° |
| C9 | C8 | C33 | H33 | 53.4° | 53.4° |
| C9 | C8 | C33 | H33A | 173.4° | 173.4° |
| C9 | C8 | C33 | H33B | 66.6° | 66.6° |
| C9 | C8 | O53 | HO53 | 4.3° | 4.3° |
| O11 | C9 | C10 | C34 | 56.0° | 56.0° |
| O11 | C9 | C10 | C11 | 68.4° | 68.4° |
| O11 | C9 | C10 | H10 | 174.0° | 174.0° |
| C9 | C10 | C34 | C11 | 120.8° | 120.8° |
| C9 | C10 | C34 | H10 | 121.8° | 121.8° |
| C9 | C10 | C11 | H10 | 121.7° | 121.7° |
| C9 | C10 | C11 | O12 | 62.9° | 62.9° |
| C9 | C10 | C11 | C12 | 174.8° | 174.8° |
| C9 | C10 | C11 | H11 | 58.4° | 58.4° |
| C9 | C10 | C34 | H34 | 180.0° | 180.0° |
| C9 | C10 | C34 | H34A | 60.0° | 60.0° |
| C9 | C10 | C34 | H34B | 60.0° | 60.0° |
| C26 | O9 | C22 | C23 | 57.5° | 57.5° |
| C26 | O9 | C22 | H22 | 61.8° | 61.7° |
| O9 | C26 | C25 | C24 | 59.3° | 59.3° |
| O9 | C26 | C25 | C27 | 119.1° | 119.1° |
| O9 | C26 | C25 | H26 | 120.9° | 120.9° |
| O9 | C26 | C25 | H25 | 179.3° | 179.3° |
| O9 | C26 | C25 | H25A | 60.7° | 60.6° |
| O9 | C26 | C27 | H26 | 120.9° | 120.9° |
| O9 | C26 | C27 | H27 | 180.0° | 180.0° |
| O9 | C26 | C27 | H27A | 60.0° | 60.0° |
| O9 | C26 | C27 | H27B | 60.0° | 60.0° |
| O9 | C22 | C23 | H22 | 119.4° | 119.4° |
| O9 | C22 | C23 | C24 | 57.0° | 57.0° |
| O9 | C22 | C23 | C40 | 179.7° | 179.7° |
| O9 | C22 | C23 | H23 | 61.4° | 61.4° |
| C22 | O9 | C26 | C25 | 58.7° | 58.7° |
| C22 | O9 | C26 | C27 | 179.7° | 179.7° |
| C22 | O9 | C26 | H26 | 60.3° | 60.3° |
| C34 | C10 | C11 | H10 | 117.8° | 117.8° |
| C34 | C10 | C11 | O12 | 57.5° | 57.5° |
| C34 | C10 | C11 | C12 | 64.8° | 64.8° |
| C34 | C10 | C11 | H11 | 178.9° | 178.9° |
| C10 | C34 | H34 | H34A | 120.0° | 120.0° |
| C10 | C34 | H34 | H34B | 120.0° | 120.0° |
| C10 | C34 | H34A | H34B | 120.0° | 120.0° |
| C10 | C11 | O12 | C12 | 128.4° | 128.4° |
| C10 | C11 | O12 | H11 | 114.1° | 114.1° |
| C10 | C11 | C12 | H11 | 113.5° | 113.5° |
| C10 | C11 | C12 | C35 | 58.1° | 58.1° |
| C10 | C11 | C12 | C13 | 177.5° | 177.5° |
| C10 | C11 | C12 | H12 | 58.4° | 58.4° |
| C10 | C11 | O12 | C54 | 68.4° | 68.4° |
| C11 | C10 | C34 | H34 | 59.2° | 59.2° |
| C11 | C10 | C34 | H34A | 60.8° | 60.8° |
| C11 | C10 | C34 | H34B | 179.2° | 179.2° |
| H10 | C10 | C11 | O12 | 175.3° | 175.3° |
| H10 | C10 | C11 | C12 | 53.0° | 53.0° |
| H10 | C10 | C11 | H11 | 63.4° | 63.4° |
| H10 | C10 | C34 | H34 | 58.2° | 58.2° |
| H10 | C10 | C34 | H34A | 178.2° | 178.2° |
| H10 | C10 | C34 | H34B | 61.8° | 61.8° |
| O12 | C11 | C12 | H11 | 121.8° | 121.8° |
| O12 | C11 | C12 | C35 | 177.2° | 177.2° |
| O12 | C11 | C12 | C13 | 52.8° | 52.8° |
| O12 | C11 | C12 | H12 | 66.3° | 66.3° |
| C11 | O12 | C54 | C56 | 177.2° | 177.2° |
| C11 | O12 | C54 | O55 | 17.4° | 17.4° |
| C11 | C12 | C35 | C13 | 122.4° | 122.4° |
| C11 | C12 | C35 | H12 | 118.7° | 118.7° |
| C11 | C12 | C13 | H12 | 119.0° | 119.0° |
| C12 | C11 | O12 | C54 | 59.9° | 59.9° |
| C11 | C12 | C13 | C36 | 161.0° | 161.0° |
| C11 | C12 | C13 | H13 | 41.9° | 41.9° |
| C11 | C12 | C35 | H35 | 180.0° | 180.0° |
| C11 | C12 | C35 | H35A | 60.0° | 60.0° |
| C11 | C12 | C35 | H35B | 60.0° | 60.0° |
| H11 | C11 | C12 | C35 | 55.4° | 55.4° |
| H11 | C11 | C12 | C13 | 68.9° | 68.9° |
| H11 | C11 | C12 | H12 | 171.9° | 171.9° |
| H11 | C11 | O12 | C54 | 177.4° | 177.4° |
| C35 | C12 | C13 | H12 | 116.5° | 116.5° |
| C35 | C12 | C13 | C36 | 74.6° | 74.6° |
| C35 | C12 | C13 | H13 | 166.4° | 166.4° |
| C12 | C35 | H35 | H35A | 120.0° | 120.0° |
| C12 | C35 | H35 | H35B | 120.0° | 120.0° |
| C12 | C35 | H35A | H35B | 120.0° | 120.0° |
| C12 | C13 | C36 | H13 | 119.2° | 119.2° |
| C13 | C12 | C35 | H35 | 57.6° | 57.6° |
| C13 | C12 | C35 | H35A | 177.6° | 177.6° |
| C13 | C12 | C35 | H35B | 62.4° | 62.4° |
| C12 | C13 | C36 | C57 | 43.7° | 43.7° |
| C12 | C13 | C36 | C37 | 76.3° | 76.3° |
| C12 | C13 | C36 | H36 | 163.7° | 163.7° |
| H12 | C12 | C13 | C36 | 42.0° | 42.0° |
| H12 | C12 | C13 | H13 | 77.1° | 77.1° |
| H12 | C12 | C35 | H35 | 61.3° | 61.3° |
| H12 | C12 | C35 | H35A | 58.7° | 58.7° |
| H12 | C12 | C35 | H35B | 178.7° | 178.7° |
| O12 | C54 | C56 | O55 | 165.4° | 165.4° |
| O12 | C54 | C56 | H56 | 165.4° | 165.4° |
| O12 | C54 | C56 | H56A | 45.4° | 45.4° |
| O12 | C54 | C56 | H56B | 74.6° | 74.6° |
| C13 | C36 | C57 | C37 | 120.0° | 120.0° |
| C13 | C36 | C57 | H36 | 120.0° | 120.0° |
| C13 | C36 | C37 | H36 | 120.0° | 120.0° |
| C13 | C36 | C37 | H37 | 180.0° | 180.0° |
| C13 | C36 | C37 | H37A | 60.0° | 60.0° |
| C13 | C36 | C37 | H37B | 60.0° | 60.0° |
| C13 | C36 | C57 | C58 | 112.7° | 112.7° |
| C13 | C36 | C57 | O57 | 127.3° | 127.3° |
| C13 | C36 | C57 | H57 | 7.3° | 7.3° |
| H13 | C13 | C36 | C57 | 75.5° | 75.5° |
| H13 | C13 | C36 | C37 | 164.5° | 164.5° |
| H13 | C13 | C36 | H36 | 44.5° | 44.5° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15A | 117.6° | 117.6° |
| C14 | C15 | C16 | C17 | 58.4° | 58.4° |
| C14 | C15 | C16 | C19 | 179.3° | 179.3° |
| H14 | C14 | C15 | C16 | 159.4° | 159.4° |
| H14 | C14 | C15 | H15 | 39.3° | 39.3° |
| H14 | C14 | C15 | H15A | 80.6° | 80.6° |
| C16 | C15 | H15 | H15A | 117.7° | 117.7° |
| C15 | C16 | C17 | C19 | 119.7° | 119.7° |
| C15 | C16 | C17 | C18 | 64.7° | 64.7° |
| C15 | C16 | C17 | O51 | 55.2° | 55.2° |
| C15 | C16 | C17 | H17 | 175.3° | 175.3° |
| C15 | C16 | C19 | H19 | 55.9° | 55.9° |
| C15 | C16 | C19 | H19A | 64.0° | 64.0° |
| C15 | C16 | C19 | H19B | 176.0° | 176.0° |
| H15 | C15 | C16 | C17 | 61.6° | 61.6° |
| H15 | C15 | C16 | C19 | 59.3° | 59.3° |
| H15A | C15 | C16 | C17 | 178.4° | 178.4° |
| H15A | C15 | C16 | C19 | 60.7° | 60.7° |
| C16 | C17 | C18 | O51 | 119.9° | 119.9° |
| C16 | C17 | C18 | H17 | 120.1° | 120.1° |
| C16 | C17 | O51 | H17 | 120.1° | 120.1° |
| C16 | C17 | C18 | C21 | 178.0° | 178.0° |
| C16 | C17 | C18 | H18 | 59.6° | 59.6° |
| C17 | C16 | C19 | H19 | 61.7° | 61.7° |
| C17 | C16 | C19 | H19A | 178.3° | 178.3° |
| C17 | C16 | C19 | H19B | 58.3° | 58.3° |
| C16 | C17 | O51 | C51 | 127.1° | 127.1° |
| C19 | C16 | C17 | C18 | 175.6° | 175.6° |
| C19 | C16 | C17 | O51 | 64.5° | 64.5° |
| C19 | C16 | C17 | H17 | 55.5° | 55.5° |
| C16 | C19 | H19 | H19A | 120.0° | 120.0° |
| C16 | C19 | H19 | H19B | 120.0° | 120.0° |
| C16 | C19 | H19A | H19B | 120.0° | 120.0° |
| C18 | C17 | O51 | H17 | 120.1° | 120.1° |
| C17 | C18 | C21 | H18 | 115.7° | 115.7° |
| C17 | C18 | C21 | H21 | 57.0° | 57.0° |
| C17 | C18 | C21 | H21A | 177.0° | 177.0° |
| C17 | C18 | C21 | H21B | 63.0° | 63.0° |
| C18 | C17 | O51 | C51 | 113.1° | 113.1° |
| O51 | C17 | C18 | C21 | 62.1° | 62.1° |
| O51 | C17 | C18 | H18 | 179.5° | 179.5° |
| C17 | O51 | C51 | C53 | 16.4° | 16.4° |
| C17 | O51 | C51 | O52 | 178.0° | 178.0° |
| H17 | C17 | C18 | C21 | 57.9° | 57.9° |
| H17 | C17 | C18 | H18 | 60.5° | 60.5° |
| H17 | C17 | O51 | C51 | 7.0° | 7.0° |
| C29 | O17 | C24 | C23 | 145.9° | 145.9° |
| C29 | O17 | C24 | C25 | 25.9° | 25.9° |
| C29 | O17 | C24 | H24 | 92.6° | 92.6° |
| O17 | C29 | H29 | H29A | 120.0° | 120.0° |
| O17 | C29 | H29 | H29B | 120.0° | 120.0° |
| O17 | C29 | H29A | H29B | 120.0° | 120.0° |
| O17 | C24 | C23 | C22 | 177.7° | 177.7° |
| O17 | C24 | C23 | C25 | 124.7° | 124.7° |
| O17 | C24 | C23 | H24 | 116.5° | 116.5° |
| O17 | C24 | C23 | C40 | 54.0° | 54.0° |
| O17 | C24 | C23 | H23 | 64.4° | 64.4° |
| O17 | C24 | C25 | H24 | 116.3° | 116.3° |
| O17 | C24 | C25 | C26 | 179.4° | 179.4° |
| O17 | C24 | C25 | H25 | 59.3° | 59.3° |
| O17 | C24 | C25 | H25A | 60.6° | 60.7° |
| C24 | O17 | C29 | H29 | 180.0° | 180.0° |
| C24 | O17 | C29 | H29A | 60.0° | 60.0° |
| C24 | O17 | C29 | H29B | 60.0° | 60.0° |
| C18 | C21 | H21 | H21A | 120.0° | 120.0° |
| C18 | C21 | H21 | H21B | 120.0° | 120.0° |
| C18 | C21 | H21A | H21B | 120.0° | 120.0° |
| H18 | C18 | C21 | H21 | 58.7° | 58.7° |
| H18 | C18 | C21 | H21A | 61.3° | 61.3° |
| H18 | C18 | C21 | H21B | 178.7° | 178.7° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| C22 | C23 | C24 | C40 | 123.7° | 123.7° |
| C22 | C23 | C24 | H23 | 117.9° | 117.9° |
| C22 | C23 | C40 | H23 | 117.9° | 117.9° |
| C22 | C23 | C24 | C25 | 57.6° | 57.6° |
| C22 | C23 | C24 | H24 | 61.2° | 61.2° |
| C22 | C23 | C40 | H40 | 180.0° | 180.0° |
| C22 | C23 | C40 | H40A | 60.0° | 60.0° |
| C22 | C23 | C40 | H40B | 60.0° | 60.0° |
| H22 | C22 | C23 | C24 | 62.4° | 62.4° |
| H22 | C22 | C23 | C40 | 60.9° | 60.9° |
| H22 | C22 | C23 | H23 | 179.2° | 179.2° |
| C24 | C23 | C40 | H23 | 118.4° | 118.4° |
| C23 | C24 | C25 | H24 | 121.7° | 121.7° |
| C23 | C24 | C25 | C26 | 58.7° | 58.7° |
| C23 | C24 | C25 | H25 | 178.7° | 178.7° |
| C23 | C24 | C25 | H25A | 61.3° | 61.3° |
| C24 | C23 | C40 | H40 | 56.3° | 56.3° |
| C24 | C23 | C40 | H40A | 63.7° | 63.7° |
| C24 | C23 | C40 | H40B | 176.3° | 176.3° |
| C40 | C23 | C24 | C25 | 178.6° | 178.6° |
| C40 | C23 | C24 | H24 | 62.5° | 62.5° |
| C23 | C40 | H40 | H40A | 120.0° | 120.0° |
| C23 | C40 | H40 | H40B | 120.0° | 120.0° |
| C23 | C40 | H40A | H40B | 120.0° | 120.0° |
| H23 | C23 | C24 | C25 | 60.3° | 60.3° |
| H23 | C23 | C24 | H24 | 179.1° | 179.1° |
| H23 | C23 | C40 | H40 | 62.1° | 62.1° |
| H23 | C23 | C40 | H40A | 177.9° | 177.9° |
| H23 | C23 | C40 | H40B | 57.9° | 57.9° |
| C24 | C25 | C26 | H25 | 120.0° | 120.0° |
| C24 | C25 | C26 | H25A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25A | 119.7° | 119.7° |
| C24 | C25 | C26 | C27 | 178.4° | 178.4° |
| C24 | C25 | C26 | H26 | 61.6° | 61.6° |
| H24 | C24 | C25 | C26 | 63.0° | 63.0° |
| H24 | C24 | C25 | H25 | 57.0° | 57.0° |
| H24 | C24 | C25 | H25A | 177.0° | 177.0° |
| C26 | C25 | H25 | H25A | 119.7° | 119.7° |
| C25 | C26 | C27 | H26 | 119.0° | 119.0° |
| C25 | C26 | C27 | H27 | 59.9° | 59.9° |
| C25 | C26 | C27 | H27A | 60.1° | 60.1° |
| C25 | C26 | C27 | H27B | 179.9° | 179.9° |
| H25 | C25 | C26 | C27 | 61.6° | 61.6° |
| H25 | C25 | C26 | H26 | 58.4° | 58.4° |
| H25A | C25 | C26 | C27 | 58.4° | 58.4° |
| H25A | C25 | C26 | H26 | 178.4° | 178.4° |
| C26 | C27 | H27 | H27A | 120.0° | 120.0° |
| C26 | C27 | H27 | H27B | 120.0° | 120.0° |
| C26 | C27 | H27A | H27B | 120.0° | 120.0° |
| H26 | C26 | C27 | H27 | 59.0° | 59.0° |
| H26 | C26 | C27 | H27A | 179.1° | 179.0° |
| H26 | C26 | C27 | H27B | 60.9° | 60.9° |
| H27 | C27 | H27A | H27B | 120.0° | 119.9° |
| H29 | C29 | H29A | H29B | 120.0° | 120.0° |
| H30 | C30 | H30A | H30B | 119.9° | 119.9° |
| H31 | C31 | H31A | H31B | 120.0° | 120.0° |
| H32 | C32 | H32A | H32B | 120.0° | 120.0° |
| H33 | C33 | H33A | H33B | 120.0° | 120.0° |
| H34 | C34 | H34A | H34B | 120.0° | 120.0° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| C57 | C36 | C37 | H36 | 120.0° | 120.0° |
| C57 | C36 | C37 | H37 | 60.0° | 60.0° |
| C57 | C36 | C37 | H37A | 60.0° | 60.0° |
| C57 | C36 | C37 | H37B | 180.0° | 180.0° |
| C36 | C57 | C58 | O57 | 120.0° | 120.0° |
| C36 | C57 | C58 | H57 | 120.0° | 120.0° |
| C36 | C57 | O57 | H57 | 120.0° | 120.0° |
| C36 | C57 | O57 | HO57 | 180.0° | 180.0° |
| C36 | C57 | C58 | H58 | 180.0° | 180.0° |
| C36 | C57 | C58 | H58A | 60.0° | 60.0° |
| C36 | C57 | C58 | H58B | 60.0° | 60.0° |
| C36 | C37 | H37 | H37A | 120.0° | 120.0° |
| C36 | C37 | H37 | H37B | 120.0° | 120.0° |
| C36 | C37 | H37A | H37B | 120.0° | 120.0° |
| C37 | C36 | C57 | C58 | 7.3° | 7.3° |
| C37 | C36 | C57 | O57 | 112.7° | 112.7° |
| C37 | C36 | C57 | H57 | 127.3° | 127.3° |
| H36 | C36 | C37 | H37 | 60.0° | 60.0° |
| H36 | C36 | C37 | H37A | 180.0° | 180.0° |
| H36 | C36 | C37 | H37B | 60.0° | 60.0° |
| H36 | C36 | C57 | C58 | 127.3° | 127.3° |
| H36 | C36 | C57 | O57 | 7.3° | 7.3° |
| H36 | C36 | C57 | H57 | 112.7° | 112.7° |
| H37 | C37 | H37A | H37B | 119.9° | 119.9° |
| H40 | C40 | H40A | H40B | 120.0° | 120.0° |
| C53 | C51 | O52 | O51 | 165.6° | 165.6° |
| C51 | C53 | H53 | H53A | 120.0° | 120.0° |
| C51 | C53 | H53 | H53B | 120.0° | 120.0° |
| C51 | C53 | H53A | H53B | 120.0° | 120.0° |
| O52 | C51 | C53 | H53 | 0.0° | 0.0° |
| O52 | C51 | C53 | H53A | 120.0° | 120.0° |
| O52 | C51 | C53 | H53B | 120.0° | 120.0° |
| O51 | C51 | C53 | H53 | 165.6° | 165.6° |
| O51 | C51 | C53 | H53A | 45.5° | 45.5° |
| O51 | C51 | C53 | H53B | 74.5° | 74.5° |
| H53 | C53 | H53A | H53B | 120.0° | 120.0° |
| C54 | C56 | H56 | H56A | 120.0° | 120.0° |
| C54 | C56 | H56 | H56B | 120.0° | 120.0° |
| C54 | C56 | H56A | H56B | 120.0° | 120.0° |
| O55 | C54 | C56 | H56 | 0.0° | 0.0° |
| O55 | C54 | C56 | H56A | 120.0° | 120.0° |
| O55 | C54 | C56 | H56B | 120.0° | 120.0° |
| H56 | C56 | H56A | H56B | 120.0° | 120.0° |
| C58 | C57 | O57 | H57 | 120.1° | 120.1° |
| C58 | C57 | O57 | HO57 | 60.1° | 60.1° |
| C57 | C58 | H58 | H58A | 120.0° | 120.0° |
| C57 | C58 | H58 | H58B | 120.0° | 120.0° |
| C57 | C58 | H58A | H58B | 120.0° | 120.0° |
| O57 | C57 | C58 | H58 | 60.0° | 60.0° |
| O57 | C57 | C58 | H58A | 179.9° | 180.0° |
| O57 | C57 | C58 | H58B | 60.0° | 60.0° |
| H57 | C57 | O57 | HO57 | 60.0° | 60.0° |
| H57 | C57 | C58 | H58 | 60.0° | 60.0° |
| H57 | C57 | C58 | H58A | 60.0° | 60.0° |
| H57 | C57 | C58 | H58B | 180.0° | 180.0° |
| H58 | C58 | H58A | H58B | 120.1° | 120.0° |
