IV1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | O | sing | 1.43Å | 1.44Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C21 | C19 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | O1 | sing | 1.43Å | 1.44Å | |
| C31 | C30 | doub | 1.33Å | 1.32Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.52Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C30 | C25 | sing | 1.48Å | 1.47Å | |
| C30 | C29 | sing | 1.52Å | 1.51Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| O3 | C29 | sing | 1.43Å | 1.42Å | |
| C25 | C24 | doub | 1.35Å | 1.37Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C27 | O2 | sing | 1.43Å | 1.43Å | |
| C24 | C23 | sing | 1.41Å | 1.43Å | |
| C22 | C23 | doub | 1.35Å | 1.34Å | |
| C22 | C10 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.51Å | 1.51Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| O | H20 | sing | 0.97Å | 0.95Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| C13 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.08Å | 1.08Å | |
| C23 | H40 | sing | 1.08Å | 1.08Å | |
| C24 | H41 | sing | 1.08Å | 1.08Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | H48 | sing | 1.08Å | 1.08Å | |
| C31 | H49 | sing | 1.08Å | 1.08Å | |
| O2 | H50 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 110.6° | 109.5° |
| C | C1 | O | 107.7° | 109.5° |
| C | C1 | C3 | 111.0° | 109.5° |
| C1 | C | H17 | 109.5° | 109.5° |
| C1 | C | H18 | 109.5° | 109.5° |
| C1 | C | H19 | 109.5° | 109.5° |
| C2 | C1 | O | 107.9° | 109.5° |
| C2 | C1 | C3 | 111.2° | 109.5° |
| C1 | C2 | H14 | 109.5° | 109.5° |
| C1 | C2 | H15 | 109.5° | 109.5° |
| C1 | C2 | H16 | 109.5° | 109.5° |
| O | C1 | C3 | 108.2° | 109.5° |
| C1 | O | H20 | 109.5° | 114.0° |
| C1 | C3 | C4 | 116.3° | 109.5° |
| C1 | C3 | H11 | 107.7° | 109.5° |
| C1 | C3 | H12 | 107.7° | 109.5° |
| C3 | C4 | C5 | 113.2° | 109.5° |
| C3 | C4 | H9 | 108.5° | 109.5° |
| C3 | C4 | H10 | 108.5° | 109.4° |
| C4 | C3 | H11 | 107.7° | 109.4° |
| C4 | C3 | H12 | 107.7° | 109.5° |
| C4 | C5 | C6 | 114.2° | 109.5° |
| C4 | C5 | H5 | 108.3° | 109.5° |
| C4 | C5 | H6 | 108.3° | 109.5° |
| C5 | C4 | H9 | 108.5° | 109.5° |
| C5 | C4 | H10 | 108.5° | 109.5° |
| C21 | C19 | C18 | 111.3° | 109.4° |
| C21 | C19 | C20 | 110.8° | 109.5° |
| C21 | C19 | O1 | 108.0° | 109.4° |
| C19 | C21 | H36 | 109.5° | 109.5° |
| C19 | C21 | H37 | 109.5° | 109.5° |
| C19 | C21 | H38 | 109.5° | 109.5° |
| C5 | C6 | C7 | 114.4° | 109.5° |
| C6 | C5 | H5 | 108.3° | 109.5° |
| C6 | C5 | H6 | 108.3° | 109.5° |
| C5 | C6 | H7 | 108.2° | 109.4° |
| C5 | C6 | H8 | 108.2° | 109.5° |
| C16 | C17 | C18 | 113.4° | 109.5° |
| C17 | C16 | C15 | 114.3° | 109.5° |
| C17 | C16 | H27 | 108.2° | 109.5° |
| C17 | C16 | H28 | 108.3° | 109.4° |
| C16 | C17 | H29 | 108.5° | 109.5° |
| C16 | C17 | H30 | 108.5° | 109.5° |
| C17 | C18 | C19 | 116.1° | 109.5° |
| C18 | C17 | H29 | 108.5° | 109.5° |
| C18 | C17 | H30 | 108.5° | 109.5° |
| C17 | C18 | H31 | 107.8° | 109.4° |
| C17 | C18 | H32 | 107.8° | 109.5° |
| C16 | C15 | C14 | 114.0° | 109.5° |
| C16 | C15 | H25 | 108.3° | 109.5° |
| C16 | C15 | H26 | 108.3° | 109.5° |
| C15 | C16 | H27 | 108.3° | 109.5° |
| C15 | C16 | H28 | 108.2° | 109.5° |
| C18 | C19 | C20 | 110.9° | 109.5° |
| C18 | C19 | O1 | 108.1° | 109.5° |
| C19 | C18 | H31 | 107.8° | 109.5° |
| C19 | C18 | H32 | 107.8° | 109.5° |
| C20 | C19 | O1 | 107.6° | 109.5° |
| C19 | C20 | H33 | 109.5° | 109.4° |
| C19 | C20 | H34 | 109.5° | 109.4° |
| C19 | C20 | H35 | 109.5° | 109.5° |
| C19 | O1 | H4 | 109.5° | 114.1° |
| C31 | C30 | C25 | 123.1° | 121.6° |
| C31 | C30 | C29 | 120.4° | 121.8° |
| C30 | C31 | H48 | 120.0° | 120.0° |
| C30 | C31 | H49 | 120.0° | 120.0° |
| C6 | C7 | C8 | 114.5° | 109.5° |
| C6 | C7 | H1 | 108.2° | 109.5° |
| C6 | C7 | H2 | 108.2° | 109.5° |
| C7 | C6 | H7 | 108.2° | 109.5° |
| C7 | C6 | H8 | 108.2° | 109.5° |
| C25 | C26 | C27 | 111.5° | 108.4° |
| C26 | C25 | C30 | 113.3° | 116.7° |
| C26 | C25 | C24 | 120.7° | 121.6° |
| C25 | C26 | H42 | 109.0° | 109.6° |
| C25 | C26 | H43 | 109.0° | 109.7° |
| C26 | C27 | C28 | 110.0° | 109.8° |
| C26 | C27 | O2 | 109.7° | 109.4° |
| C27 | C26 | H42 | 108.9° | 109.7° |
| C27 | C26 | H43 | 108.9° | 109.7° |
| C26 | C27 | H44 | 108.8° | 109.5° |
| C25 | C30 | C29 | 116.4° | 116.6° |
| C30 | C25 | C24 | 126.0° | 121.6° |
| C30 | C29 | C28 | 111.0° | 108.3° |
| C30 | C29 | O3 | 110.0° | 109.9° |
| C30 | C29 | H47 | 108.2° | 109.6° |
| C27 | C28 | C29 | 110.6° | 109.8° |
| C28 | C27 | O2 | 109.7° | 109.4° |
| C28 | C27 | H44 | 108.8° | 109.4° |
| C27 | C28 | H45 | 109.2° | 109.4° |
| C27 | C28 | H46 | 109.2° | 109.4° |
| C28 | C29 | O3 | 110.0° | 109.7° |
| C29 | C28 | H45 | 109.2° | 109.4° |
| C29 | C28 | H46 | 109.2° | 109.5° |
| C28 | C29 | H47 | 108.1° | 109.7° |
| C29 | O3 | H13 | 109.5° | 114.0° |
| O3 | C29 | H47 | 109.4° | 109.7° |
| C25 | C24 | C23 | 126.5° | 120.0° |
| C25 | C24 | H41 | 116.8° | 120.0° |
| C15 | C14 | C12 | 115.0° | 109.5° |
| C15 | C14 | H23 | 108.1° | 109.5° |
| C15 | C14 | H24 | 108.1° | 109.5° |
| C14 | C15 | H25 | 108.3° | 109.5° |
| C14 | C15 | H26 | 108.3° | 109.5° |
| O2 | C27 | H44 | 110.0° | 109.4° |
| C27 | O2 | H50 | 109.5° | 114.0° |
| C24 | C23 | C22 | 122.2° | 120.0° |
| C24 | C23 | H40 | 118.9° | 120.0° |
| C23 | C24 | H41 | 116.8° | 120.0° |
| C23 | C22 | C10 | 127.0° | 120.0° |
| C23 | C22 | H39 | 116.5° | 120.0° |
| C22 | C23 | H40 | 118.9° | 120.0° |
| C22 | C10 | C9 | 120.1° | 120.2° |
| C22 | C10 | C11 | 121.0° | 120.2° |
| C10 | C22 | H39 | 116.5° | 120.0° |
| C7 | C8 | C9 | 120.6° | 119.9° |
| C7 | C8 | C13 | 120.3° | 120.0° |
| C8 | C7 | H1 | 108.2° | 109.5° |
| C8 | C7 | H2 | 108.2° | 109.4° |
| C10 | C9 | C8 | 120.9° | 119.8° |
| C9 | C10 | C11 | 118.9° | 119.6° |
| C10 | C9 | H3 | 119.5° | 120.1° |
| C9 | C8 | C13 | 119.0° | 120.2° |
| C8 | C9 | H3 | 119.5° | 120.1° |
| C10 | C11 | C12 | 120.9° | 119.9° |
| C10 | C11 | H21 | 119.6° | 120.1° |
| C8 | C13 | C12 | 121.3° | 120.4° |
| C8 | C13 | H22 | 119.4° | 119.8° |
| C11 | C12 | C13 | 118.9° | 120.2° |
| C11 | C12 | C14 | 120.5° | 119.9° |
| C12 | C11 | H21 | 119.5° | 120.1° |
| C13 | C12 | C14 | 120.5° | 119.9° |
| C12 | C13 | H22 | 119.3° | 119.9° |
| C12 | C14 | H23 | 108.1° | 109.4° |
| C12 | C14 | H24 | 108.1° | 109.4° |
| H1 | C7 | H2 | 109.4° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H9 | C4 | H10 | 109.5° | 109.4° |
| H11 | C3 | H12 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.4° |
| H14 | C2 | H16 | 109.5° | 109.5° |
| H15 | C2 | H16 | 109.5° | 109.4° |
| H17 | C | H18 | 109.4° | 109.5° |
| H17 | C | H19 | 109.4° | 109.5° |
| H18 | C | H19 | 109.5° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.4° |
| H25 | C15 | H26 | 109.5° | 109.4° |
| H27 | C16 | H28 | 109.5° | 109.5° |
| H29 | C17 | H30 | 109.5° | 109.4° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| H33 | C20 | H34 | 109.5° | 109.5° |
| H33 | C20 | H35 | 109.5° | 109.5° |
| H34 | C20 | H35 | 109.5° | 109.5° |
| H36 | C21 | H37 | 109.5° | 109.4° |
| H36 | C21 | H38 | 109.5° | 109.5° |
| H37 | C21 | H38 | 109.5° | 109.5° |
| H42 | C26 | H43 | 109.5° | 109.7° |
| H45 | C28 | H46 | 109.4° | 109.4° |
| H48 | C31 | H49 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | O | 117.6° | 120.0° |
| C | C1 | C2 | C3 | 123.9° | 120.0° |
| C | C1 | O | C3 | 120.1° | 120.0° |
| C | C1 | C3 | C4 | 173.0° | 55.0° |
| C | C1 | C3 | H11 | 52.1° | 65.0° |
| C | C1 | C3 | H12 | 66.0° | 175.0° |
| C | C1 | C2 | H14 | 180.0° | 180.0° |
| C | C1 | C2 | H15 | 60.0° | 60.0° |
| C | C1 | C2 | H16 | 60.0° | 60.0° |
| C1 | C | H17 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H19 | 120.0° | 120.0° |
| C1 | C | H18 | H19 | 120.0° | 120.0° |
| C | C1 | O | H20 | 180.0° | 60.0° |
| C2 | C1 | O | C3 | 120.5° | 120.0° |
| C2 | C1 | C3 | C4 | 49.4° | 175.0° |
| C2 | C1 | C3 | H11 | 71.6° | 55.0° |
| C2 | C1 | C3 | H12 | 170.4° | 65.0° |
| C1 | C2 | H14 | H15 | 120.0° | 120.1° |
| C1 | C2 | H14 | H16 | 120.0° | 120.0° |
| C1 | C2 | H15 | H16 | 120.0° | 120.0° |
| C2 | C1 | C | H17 | 180.0° | 60.1° |
| C2 | C1 | C | H18 | 60.0° | 60.0° |
| C2 | C1 | C | H19 | 60.0° | 180.0° |
| C2 | C1 | O | H20 | 60.6° | 60.0° |
| O | C1 | C3 | C4 | 69.0° | 65.0° |
| O | C1 | C3 | H11 | 170.0° | 175.0° |
| O | C1 | C3 | H12 | 52.0° | 55.0° |
| O | C1 | C2 | H14 | 62.4° | 60.0° |
| O | C1 | C2 | H15 | 57.6° | 180.0° |
| O | C1 | C2 | H16 | 177.6° | 60.0° |
| O | C1 | C | H17 | 62.2° | 60.0° |
| O | C1 | C | H18 | 177.8° | 180.0° |
| O | C1 | C | H19 | 57.7° | 60.0° |
| C1 | C3 | C4 | H11 | 121.0° | 120.0° |
| C1 | C3 | C4 | H12 | 121.0° | 120.0° |
| C1 | C3 | C4 | C5 | 160.5° | 180.0° |
| C1 | C3 | C4 | H9 | 40.0° | 59.9° |
| C1 | C3 | C4 | H10 | 78.9° | 60.0° |
| C1 | C3 | H11 | H12 | 116.9° | 120.0° |
| C3 | C1 | C2 | H14 | 56.1° | 60.0° |
| C3 | C1 | C2 | H15 | 176.2° | 60.0° |
| C3 | C1 | C2 | H16 | 63.9° | 180.0° |
| C3 | C1 | C | H17 | 56.0° | 180.0° |
| C3 | C1 | C | H18 | 64.0° | 60.0° |
| C3 | C1 | C | H19 | 176.0° | 60.0° |
| C3 | C1 | O | H20 | 59.9° | 180.0° |
| C3 | C4 | C5 | H9 | 120.6° | 120.1° |
| C3 | C4 | C5 | H10 | 120.6° | 120.0° |
| C3 | C4 | C5 | C6 | 163.7° | 180.0° |
| C3 | C4 | C5 | H5 | 43.0° | 59.9° |
| C3 | C4 | C5 | H6 | 75.6° | 60.0° |
| C3 | C4 | H9 | H10 | 118.3° | 120.0° |
| C4 | C3 | H11 | H12 | 116.9° | 120.0° |
| C4 | C5 | C6 | H5 | 120.7° | 120.0° |
| C4 | C5 | C6 | H6 | 120.7° | 120.0° |
| C4 | C5 | C6 | C7 | 155.8° | 180.0° |
| C4 | C5 | H5 | H6 | 117.9° | 120.0° |
| C4 | C5 | C6 | H7 | 35.0° | 60.0° |
| C4 | C5 | C6 | H8 | 83.5° | 60.0° |
| C5 | C4 | H9 | H10 | 118.3° | 120.0° |
| C5 | C4 | C3 | H11 | 78.5° | 60.0° |
| C5 | C4 | C3 | H12 | 39.6° | 60.0° |
| C21 | C19 | C18 | C17 | 107.0° | 175.0° |
| C21 | C19 | C18 | C20 | 123.8° | 120.0° |
| C21 | C19 | C18 | O1 | 118.5° | 119.9° |
| C21 | C19 | C20 | O1 | 117.8° | 120.0° |
| C21 | C19 | O1 | H4 | 180.0° | 60.0° |
| C21 | C19 | C18 | H31 | 14.0° | 65.0° |
| C21 | C19 | C18 | H32 | 132.1° | 55.0° |
| C21 | C19 | C20 | H33 | 180.0° | 180.0° |
| C21 | C19 | C20 | H34 | 60.0° | 60.0° |
| C21 | C19 | C20 | H35 | 60.0° | 60.0° |
| C19 | C21 | H36 | H37 | 120.0° | 120.0° |
| C19 | C21 | H36 | H38 | 120.0° | 120.0° |
| C19 | C21 | H37 | H38 | 120.0° | 120.0° |
| C5 | C6 | C7 | H7 | 120.7° | 120.0° |
| C5 | C6 | C7 | H8 | 120.7° | 120.1° |
| C5 | C6 | C7 | C8 | 57.3° | 180.0° |
| C5 | C6 | C7 | H1 | 63.5° | 60.0° |
| C5 | C6 | C7 | H2 | 178.0° | 60.0° |
| C6 | C5 | H5 | H6 | 117.9° | 120.0° |
| C5 | C6 | H7 | H8 | 117.8° | 120.0° |
| C6 | C5 | C4 | H9 | 75.7° | 60.0° |
| C6 | C5 | C4 | H10 | 43.1° | 60.0° |
| C16 | C17 | C18 | H29 | 120.6° | 120.1° |
| C16 | C17 | C18 | H30 | 120.6° | 120.0° |
| C17 | C16 | C15 | H27 | 120.7° | 120.0° |
| C17 | C16 | C15 | H28 | 120.7° | 120.0° |
| C16 | C17 | C18 | C19 | 173.2° | 180.0° |
| C17 | C16 | C15 | C14 | 52.2° | 180.0° |
| C17 | C16 | C15 | H25 | 68.5° | 59.9° |
| C17 | C16 | C15 | H26 | 172.8° | 60.0° |
| C17 | C16 | H27 | H28 | 117.8° | 119.9° |
| C16 | C17 | H29 | H30 | 118.2° | 119.9° |
| C16 | C17 | C18 | H31 | 65.9° | 60.0° |
| C16 | C17 | C18 | H32 | 52.3° | 60.0° |
| C18 | C17 | C16 | C15 | 60.4° | NaN° |
| C17 | C18 | C19 | H31 | 121.0° | 119.9° |
| C17 | C18 | C19 | H32 | 121.0° | 120.0° |
| C17 | C18 | C19 | C20 | 16.8° | 55.0° |
| C17 | C18 | C19 | O1 | 134.5° | 65.0° |
| C18 | C17 | C16 | H27 | 60.3° | 59.9° |
| C18 | C17 | C16 | H28 | 178.9° | 60.0° |
| C18 | C17 | H29 | H30 | 118.2° | 120.0° |
| C17 | C18 | H31 | H32 | 117.0° | 120.0° |
| C16 | C15 | C14 | H25 | 120.7° | 120.0° |
| C16 | C15 | C14 | H26 | 120.7° | 120.0° |
| C16 | C15 | C14 | C12 | 54.2° | 180.0° |
| C16 | C15 | C14 | H23 | 66.6° | 60.0° |
| C16 | C15 | C14 | H24 | 175.0° | 60.0° |
| C16 | C15 | H25 | H26 | 117.9° | 120.0° |
| C15 | C16 | H27 | H28 | 117.8° | 120.0° |
| C15 | C16 | C17 | H29 | 60.2° | 59.9° |
| C15 | C16 | C17 | H30 | 179.0° | 60.0° |
| C18 | C19 | C20 | O1 | 118.0° | 120.0° |
| C18 | C19 | O1 | H4 | 59.4° | 180.0° |
| C19 | C18 | C17 | H29 | 52.6° | 60.0° |
| C19 | C18 | C17 | H30 | 66.2° | 60.0° |
| C19 | C18 | H31 | H32 | 117.0° | 120.0° |
| C18 | C19 | C20 | H33 | 55.8° | 60.0° |
| C18 | C19 | C20 | H34 | 64.2° | 180.0° |
| C18 | C19 | C20 | H35 | 175.8° | 60.0° |
| C18 | C19 | C21 | H36 | 180.0° | 60.0° |
| C18 | C19 | C21 | H37 | 60.0° | 180.0° |
| C18 | C19 | C21 | H38 | 60.0° | 60.0° |
| C20 | C19 | O1 | H4 | 60.4° | 60.0° |
| C20 | C19 | C18 | H31 | 137.8° | 175.0° |
| C20 | C19 | C18 | H32 | 104.1° | 65.0° |
| C19 | C20 | H33 | H34 | 120.0° | 120.0° |
| C19 | C20 | H33 | H35 | 120.0° | 120.0° |
| C19 | C20 | H34 | H35 | 120.0° | 120.0° |
| C20 | C19 | C21 | H36 | 56.1° | 60.0° |
| C20 | C19 | C21 | H37 | 63.9° | 60.0° |
| C20 | C19 | C21 | H38 | 176.1° | 180.0° |
| O1 | C19 | C18 | H31 | 104.5° | 54.9° |
| O1 | C19 | C18 | H32 | 13.6° | 175.0° |
| O1 | C19 | C20 | H33 | 62.2° | 60.0° |
| O1 | C19 | C20 | H34 | 177.8° | 60.0° |
| O1 | C19 | C20 | H35 | 57.8° | 180.0° |
| O1 | C19 | C21 | H36 | 61.5° | 180.0° |
| O1 | C19 | C21 | H37 | 178.5° | 60.1° |
| O1 | C19 | C21 | H38 | 58.5° | 60.0° |
| C31 | C30 | C25 | C26 | 133.1° | 136.6° |
| C31 | C30 | C25 | C29 | 178.6° | 179.8° |
| C31 | C30 | C29 | C28 | 131.4° | 133.2° |
| C31 | C30 | C29 | O3 | 9.5° | 107.0° |
| C31 | C30 | C25 | C24 | 46.8° | 43.1° |
| C31 | C30 | C29 | H47 | 110.0° | 13.6° |
| C30 | C31 | H48 | H49 | 180.0° | 179.9° |
| C6 | C7 | C8 | H1 | 120.7° | 120.0° |
| C6 | C7 | C8 | H2 | 120.8° | 120.0° |
| C6 | C7 | C8 | C9 | 79.9° | 89.7° |
| C6 | C7 | C8 | C13 | 98.3° | 90.0° |
| C6 | C7 | H1 | H2 | 117.7° | 120.0° |
| C7 | C6 | C5 | H5 | 83.5° | 60.0° |
| C7 | C6 | C5 | H6 | 35.1° | 60.0° |
| C7 | C6 | H7 | H8 | 117.8° | 120.0° |
| C25 | C26 | C27 | H42 | 120.3° | 119.7° |
| C25 | C26 | C27 | H43 | 120.3° | 119.8° |
| C26 | C25 | C30 | C24 | 179.9° | 179.7° |
| C26 | C25 | C30 | C29 | 45.5° | 43.6° |
| C25 | C26 | C27 | C28 | 57.4° | 57.7° |
| C25 | C26 | C27 | O2 | 63.3° | 177.8° |
| C26 | C25 | C24 | C23 | 179.1° | 180.0° |
| C26 | C25 | C24 | H41 | 0.9° | 0.0° |
| C25 | C26 | H42 | H43 | 119.1° | 120.5° |
| C25 | C26 | C27 | H44 | 176.4° | 62.4° |
| C27 | C26 | C25 | C30 | 49.9° | 46.9° |
| C26 | C27 | C28 | O2 | 120.7° | 120.1° |
| C26 | C27 | C28 | H44 | 119.0° | 120.1° |
| C26 | C27 | C28 | C29 | 59.8° | 66.2° |
| C27 | C26 | C25 | C24 | 130.2° | 133.3° |
| C26 | C27 | O2 | H44 | 119.6° | 119.9° |
| C27 | C26 | H42 | H43 | 119.0° | 120.6° |
| C26 | C27 | C28 | H45 | 60.4° | 173.7° |
| C26 | C27 | C28 | H46 | 180.0° | 53.9° |
| C26 | C27 | O2 | H50 | 180.0° | 60.0° |
| C25 | C30 | C29 | C28 | 47.2° | 47.0° |
| C25 | C30 | C29 | O3 | 169.2° | 72.8° |
| C30 | C25 | C24 | C23 | 1.0° | 0.3° |
| C30 | C25 | C24 | H41 | 179.0° | 179.7° |
| C30 | C25 | C26 | H42 | 70.4° | 166.6° |
| C30 | C25 | C26 | H43 | 170.2° | 72.9° |
| C25 | C30 | C29 | H47 | 71.4° | 166.6° |
| C25 | C30 | C31 | H48 | 178.5° | 0.1° |
| C25 | C30 | C31 | H49 | 1.4° | 180.0° |
| C30 | C29 | C28 | C27 | 53.6° | 57.9° |
| C30 | C29 | C28 | O3 | 122.0° | 119.9° |
| C30 | C29 | C28 | H47 | 118.6° | 119.5° |
| C30 | C29 | O3 | H47 | 118.8° | 120.5° |
| C29 | C30 | C25 | C24 | 134.6° | 136.7° |
| C30 | C29 | O3 | H13 | 180.0° | 61.1° |
| C30 | C29 | C28 | H45 | 66.6° | 177.9° |
| C30 | C29 | C28 | H46 | 173.8° | 62.2° |
| C29 | C30 | C31 | H48 | 0.0° | 179.8° |
| C29 | C30 | C31 | H49 | 180.0° | 0.2° |
| C27 | C28 | C29 | H45 | 120.2° | 120.1° |
| C27 | C28 | C29 | H46 | 120.2° | 120.1° |
| C27 | C28 | C29 | O3 | 175.5° | 62.1° |
| C28 | C27 | O2 | H44 | 119.6° | 119.8° |
| C28 | C27 | C26 | H42 | 62.9° | 177.4° |
| C28 | C27 | C26 | H43 | 177.7° | 62.1° |
| C27 | C28 | H45 | H46 | 119.5° | 119.8° |
| C27 | C28 | C29 | H47 | 65.0° | 177.4° |
| C28 | C27 | O2 | H50 | 59.2° | 179.7° |
| C28 | C29 | O3 | H47 | 118.6° | 120.5° |
| C29 | C28 | C27 | O2 | 60.9° | 173.7° |
| C28 | C29 | O3 | H13 | 57.4° | 180.0° |
| C29 | C28 | C27 | H44 | 178.8° | 53.9° |
| C29 | C28 | H45 | H46 | 119.5° | 119.9° |
| O3 | C29 | C28 | H45 | 55.4° | 58.0° |
| O3 | C29 | C28 | H46 | 64.3° | 177.8° |
| C25 | C24 | C23 | H41 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 158.3° | 180.0° |
| C25 | C24 | C23 | H40 | 21.6° | 0.0° |
| C24 | C25 | C26 | H42 | 109.5° | 13.6° |
| C24 | C25 | C26 | H43 | 10.0° | 106.9° |
| C15 | C14 | C12 | C11 | 120.6° | 89.9° |
| C15 | C14 | C12 | C13 | 59.6° | 89.7° |
| C15 | C14 | C12 | H23 | 120.8° | 120.1° |
| C15 | C14 | C12 | H24 | 120.8° | 120.1° |
| C15 | C14 | H23 | H24 | 117.5° | 120.1° |
| C14 | C15 | H25 | H26 | 117.9° | 120.0° |
| C14 | C15 | C16 | H27 | 172.9° | 60.0° |
| C14 | C15 | C16 | H28 | 68.6° | 60.0° |
| O2 | C27 | C26 | H42 | 176.4° | 62.6° |
| O2 | C27 | C26 | H43 | 57.1° | 58.0° |
| O2 | C27 | C28 | H45 | 178.9° | 53.6° |
| O2 | C27 | C28 | H46 | 59.3° | 66.1° |
| C24 | C23 | C22 | H40 | 180.0° | 180.0° |
| C24 | C23 | C22 | C10 | 166.0° | 180.0° |
| C24 | C23 | C22 | H39 | 14.1° | 0.1° |
| C23 | C22 | C10 | H39 | 180.0° | 179.9° |
| C23 | C22 | C10 | C9 | 8.8° | 180.0° |
| C23 | C22 | C10 | C11 | 171.2° | 0.0° |
| C22 | C23 | C24 | H41 | 21.7° | 0.0° |
| C22 | C10 | C9 | C11 | 180.0° | 180.0° |
| C22 | C10 | C9 | C8 | 179.7° | 180.0° |
| C22 | C10 | C11 | C12 | 179.7° | 179.9° |
| C22 | C10 | C9 | H3 | 0.3° | 0.0° |
| C22 | C10 | C11 | H21 | 0.3° | 0.1° |
| C10 | C22 | C23 | H40 | 14.0° | 0.1° |
| C7 | C8 | C9 | C10 | 177.5° | 180.0° |
| C7 | C8 | C9 | C13 | 178.3° | 179.7° |
| C7 | C8 | C13 | C12 | 177.6° | 179.7° |
| C8 | C7 | H1 | H2 | 117.7° | 120.0° |
| C7 | C8 | C9 | H3 | 2.6° | 0.0° |
| C8 | C7 | C6 | H7 | 178.0° | 60.0° |
| C8 | C7 | C6 | H8 | 63.5° | 60.0° |
| C7 | C8 | C13 | H22 | 2.4° | 0.0° |
| C10 | C9 | C8 | H3 | 180.0° | 180.0° |
| C10 | C9 | C8 | C13 | 0.8° | 0.3° |
| C9 | C10 | C11 | C12 | 0.3° | 0.1° |
| C9 | C10 | C11 | H21 | 179.7° | 179.9° |
| C9 | C10 | C22 | H39 | 171.2° | 0.1° |
| C8 | C9 | C10 | C11 | 0.3° | 0.0° |
| C9 | C8 | C13 | C12 | 0.7° | 0.6° |
| C9 | C8 | C7 | H1 | 159.3° | 30.3° |
| C9 | C8 | C7 | H2 | 40.8° | 150.3° |
| C9 | C8 | C13 | H22 | 179.3° | 179.7° |
| C10 | C11 | C12 | H21 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.4° | 0.4° |
| C10 | C11 | C12 | C14 | 179.3° | 180.0° |
| C11 | C10 | C9 | H3 | 179.7° | 180.0° |
| C11 | C10 | C22 | H39 | 8.8° | 180.0° |
| C8 | C13 | C12 | C11 | 0.1° | 0.7° |
| C8 | C13 | C12 | H22 | 180.0° | 179.7° |
| C8 | C13 | C12 | C14 | 179.9° | 179.7° |
| C13 | C8 | C7 | H1 | 22.4° | 150.0° |
| C13 | C8 | C7 | H2 | 140.9° | 30.0° |
| C13 | C8 | C9 | H3 | 179.2° | 179.7° |
| C11 | C12 | C13 | C14 | 179.7° | 179.6° |
| C11 | C12 | C13 | H22 | 179.9° | 179.7° |
| C11 | C12 | C14 | H23 | 0.2° | 150.0° |
| C11 | C12 | C14 | H24 | 118.6° | 30.1° |
| C13 | C12 | C11 | H21 | 179.6° | 179.7° |
| C13 | C12 | C14 | H23 | 179.5° | 30.4° |
| C13 | C12 | C14 | H24 | 61.1° | 150.3° |
| C14 | C12 | C11 | H21 | 0.7° | 0.1° |
| C14 | C12 | C13 | H22 | 0.1° | 0.0° |
| C12 | C14 | H23 | H24 | 117.5° | 119.9° |
| C12 | C14 | C15 | H25 | 174.9° | 60.0° |
| C12 | C14 | C15 | H26 | 66.4° | 60.0° |
| H1 | C7 | C6 | H7 | 57.2° | 180.0° |
| H1 | C7 | C6 | H8 | 175.8° | 60.0° |
| H2 | C7 | C6 | H7 | 61.2° | 60.0° |
| H2 | C7 | C6 | H8 | 57.3° | 180.0° |
| H5 | C5 | C6 | H7 | 155.7° | 179.9° |
| H5 | C5 | C6 | H8 | 37.2° | 60.1° |
| H5 | C5 | C4 | H9 | 163.6° | 180.0° |
| H5 | C5 | C4 | H10 | 77.6° | 60.0° |
| H6 | C5 | C6 | H7 | 85.7° | 60.0° |
| H6 | C5 | C6 | H8 | 155.8° | 180.0° |
| H6 | C5 | C4 | H9 | 44.9° | 60.1° |
| H6 | C5 | C4 | H10 | 163.8° | 180.0° |
| H9 | C4 | C3 | H11 | 161.0° | 60.0° |
| H9 | C4 | C3 | H12 | 81.0° | 179.9° |
| H10 | C4 | C3 | H11 | 42.1° | 180.0° |
| H10 | C4 | C3 | H12 | 160.1° | 60.0° |
| H13 | O3 | C29 | H47 | 61.2° | 59.4° |
| H14 | C2 | H15 | H16 | 120.0° | 119.9° |
| H17 | C | H18 | H19 | 119.9° | 120.0° |
| H23 | C14 | C15 | H25 | 54.1° | 180.0° |
| H23 | C14 | C15 | H26 | 172.8° | 60.0° |
| H24 | C14 | C15 | H25 | 64.3° | 60.0° |
| H24 | C14 | C15 | H26 | 54.4° | 180.0° |
| H25 | C15 | C16 | H27 | 52.2° | 180.0° |
| H25 | C15 | C16 | H28 | 170.8° | 60.0° |
| H26 | C15 | C16 | H27 | 66.5° | 60.0° |
| H26 | C15 | C16 | H28 | 52.1° | 179.9° |
| H27 | C16 | C17 | H29 | 179.1° | 180.0° |
| H27 | C16 | C17 | H30 | 60.3° | 60.1° |
| H28 | C16 | C17 | H29 | 60.5° | 60.1° |
| H28 | C16 | C17 | H30 | 58.3° | 180.0° |
| H29 | C17 | C18 | H31 | 173.5° | 179.9° |
| H29 | C17 | C18 | H32 | 68.3° | 60.0° |
| H30 | C17 | C18 | H31 | 54.7° | 60.0° |
| H30 | C17 | C18 | H32 | 172.8° | 180.0° |
| H33 | C20 | H34 | H35 | 120.0° | 120.1° |
| H36 | C21 | H37 | H38 | 120.0° | 120.0° |
| H39 | C22 | C23 | H40 | 166.0° | 180.0° |
| H40 | C23 | C24 | H41 | 158.4° | 180.0° |
| H42 | C26 | C27 | H44 | 56.1° | 57.3° |
| H43 | C26 | C27 | H44 | 63.2° | 177.8° |
| H44 | C27 | C28 | H45 | 58.6° | 66.2° |
| H44 | C27 | C28 | H46 | 61.0° | 174.1° |
| H44 | C27 | O2 | H50 | 60.4° | 59.9° |
| H45 | C28 | C29 | H47 | 174.8° | 62.5° |
| H46 | C28 | C29 | H47 | 55.1° | 57.3° |
