82R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C21 | sing | 1.53Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.51Å | |
| O2 | C13 | sing | 1.43Å | 1.41Å | |
| C21 | C11 | sing | 1.53Å | 1.56Å | |
| C14 | C13 | sing | 1.55Å | 1.53Å | |
| C14 | C9 | sing | 1.52Å | 1.54Å | |
| O4 | C27 | sing | 1.43Å | 1.41Å | |
| C27 | C22 | sing | 1.53Å | 1.53Å | |
| C13 | C5 | sing | 1.52Å | 1.54Å | |
| C23 | C11 | sing | 1.53Å | 1.55Å | |
| C11 | C9 | sing | 1.53Å | 1.57Å | |
| C11 | C16 | sing | 1.53Å | 1.55Å | |
| C9 | C8 | sing | 1.54Å | 1.56Å | |
| C24 | C15 | sing | 1.53Å | 1.52Å | |
| C22 | C16 | sing | 1.53Å | 1.52Å | |
| C5 | C20 | sing | 1.53Å | 1.55Å | |
| C5 | C7 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.55Å | 1.54Å | |
| C16 | C19 | sing | 1.53Å | 1.52Å | |
| C15 | C7 | sing | 1.54Å | 1.52Å | |
| C15 | C18 | sing | 1.54Å | 1.53Å | |
| C7 | C10 | sing | 1.56Å | 1.53Å | |
| C8 | C6 | sing | 1.51Å | 1.52Å | |
| C8 | C17 | sing | 1.53Å | 1.53Å | |
| C6 | C12 | sing | 1.52Å | 1.51Å | |
| C19 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | C26 | sing | 1.53Å | 1.52Å | |
| C18 | O3 | sing | 1.42Å | 1.41Å | |
| C18 | O1 | sing | 1.44Å | 1.43Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| C10 | C12 | sing | 1.55Å | 1.52Å | |
| C10 | O1 | sing | 1.44Å | 1.41Å | |
| O3 | C29 | sing | 1.43Å | 1.41Å | |
| C28 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C25 | C27 | 113.0° | 109.4° |
| C25 | C21 | C11 | 115.9° | 109.6° |
| C21 | C25 | H15 | 108.6° | 109.5° |
| C21 | C25 | H16 | 108.6° | 109.5° |
| C25 | C21 | H17 | 107.8° | 109.4° |
| C25 | C21 | H18 | 107.9° | 109.4° |
| C25 | C27 | O4 | 108.4° | 109.5° |
| C25 | C27 | C22 | 111.9° | 109.4° |
| C25 | C27 | H14 | 108.5° | 109.5° |
| C27 | C25 | H15 | 108.6° | 109.5° |
| C27 | C25 | H16 | 108.6° | 109.4° |
| O2 | C13 | C14 | 109.1° | 111.0° |
| O2 | C13 | C5 | 110.2° | 109.9° |
| O2 | C13 | H8 | 109.2° | 109.8° |
| C13 | O2 | H12 | 109.5° | 114.0° |
| C21 | C11 | C23 | 109.7° | 109.5° |
| C21 | C11 | C9 | 109.5° | 109.5° |
| C21 | C11 | C16 | 108.0° | 109.4° |
| C11 | C21 | H17 | 107.9° | 109.5° |
| C11 | C21 | H18 | 107.8° | 109.5° |
| C13 | C14 | C9 | 112.9° | 111.3° |
| C14 | C13 | C5 | 113.0° | 107.2° |
| C14 | C13 | H8 | 107.6° | 109.1° |
| C13 | C14 | H9 | 108.6° | 109.1° |
| C13 | C14 | H10 | 108.6° | 109.1° |
| C14 | C9 | C11 | 115.4° | 109.6° |
| C14 | C9 | C8 | 112.6° | 111.4° |
| C14 | C9 | H4 | 104.8° | 108.9° |
| C9 | C14 | H9 | 108.6° | 109.6° |
| C9 | C14 | H10 | 108.6° | 108.7° |
| O4 | C27 | C22 | 109.9° | 109.5° |
| C27 | O4 | H13 | 109.5° | 114.0° |
| O4 | C27 | H14 | 109.8° | 109.5° |
| C27 | C22 | C16 | 109.8° | 109.4° |
| C22 | C27 | H14 | 108.3° | 109.5° |
| C27 | C22 | H25 | 109.4° | 109.5° |
| C27 | C22 | H26 | 109.4° | 109.5° |
| C13 | C5 | C20 | 111.3° | 110.4° |
| C13 | C5 | C7 | 113.3° | 115.7° |
| C13 | C5 | C6 | 108.4° | 107.8° |
| C5 | C13 | H8 | 107.6° | 109.9° |
| C23 | C11 | C9 | 110.8° | 109.5° |
| C23 | C11 | C16 | 111.8° | 109.4° |
| C11 | C23 | H19 | 109.5° | 109.4° |
| C11 | C23 | H20 | 109.4° | 109.5° |
| C11 | C23 | H21 | 109.5° | 109.5° |
| C9 | C11 | C16 | 106.9° | 109.4° |
| C11 | C9 | C8 | 113.4° | 109.3° |
| C11 | C9 | H4 | 104.6° | 108.9° |
| C11 | C16 | C22 | 113.3° | 109.5° |
| C11 | C16 | C19 | 112.6° | 109.5° |
| C11 | C16 | H27 | 105.7° | 109.5° |
| C9 | C8 | C6 | 107.5° | 107.2° |
| C9 | C8 | C17 | 111.5° | 109.1° |
| C9 | C8 | H3 | 108.6° | 110.6° |
| C8 | C9 | H4 | 104.6° | 108.8° |
| C24 | C15 | C7 | 112.4° | 110.5° |
| C24 | C15 | C18 | 115.7° | 110.5° |
| C24 | C15 | H11 | 108.7° | 110.6° |
| C15 | C24 | H32 | 109.5° | 109.5° |
| C15 | C24 | H33 | 109.4° | 109.5° |
| C15 | C24 | H34 | 109.5° | 109.5° |
| C22 | C16 | C19 | 112.5° | 109.5° |
| C16 | C22 | H25 | 109.4° | 109.5° |
| C16 | C22 | H26 | 109.4° | 109.5° |
| C22 | C16 | H27 | 106.0° | 109.4° |
| C20 | C5 | C7 | 111.1° | 110.4° |
| C20 | C5 | C6 | 113.9° | 110.5° |
| C5 | C20 | H22 | 109.5° | 109.4° |
| C5 | C20 | H23 | 109.5° | 109.4° |
| C5 | C20 | H24 | 109.5° | 109.5° |
| C7 | C5 | C6 | 98.2° | 101.8° |
| C5 | C7 | C15 | 119.3° | 109.6° |
| C5 | C7 | C10 | 103.7° | 103.0° |
| C5 | C7 | H2 | 109.6° | 112.9° |
| C5 | C6 | C8 | 115.4° | 107.6° |
| C5 | C6 | C12 | 103.3° | 103.3° |
| C5 | C6 | H1 | 105.4° | 109.7° |
| C16 | C19 | C17 | 109.9° | 109.5° |
| C19 | C16 | H27 | 106.0° | 109.4° |
| C16 | C19 | H28 | 109.3° | 109.4° |
| C16 | C19 | H29 | 109.4° | 109.4° |
| C7 | C15 | C18 | 102.6° | 104.2° |
| C15 | C7 | C10 | 103.9° | 103.8° |
| C15 | C7 | H2 | 110.0° | 113.5° |
| C7 | C15 | H11 | 108.6° | 110.5° |
| C15 | C18 | C26 | 113.6° | 110.0° |
| C15 | C18 | O3 | 110.4° | 110.1° |
| C15 | C18 | O1 | 102.7° | 105.2° |
| C18 | C15 | H11 | 108.5° | 110.5° |
| C7 | C10 | C12 | 108.3° | 106.2° |
| C7 | C10 | O1 | 105.7° | 104.7° |
| C10 | C7 | H2 | 109.8° | 113.2° |
| C7 | C10 | H5 | 109.3° | 112.1° |
| C6 | C8 | C17 | 111.3° | 110.5° |
| C8 | C6 | C12 | 120.3° | 116.8° |
| C8 | C6 | H1 | 105.6° | 109.5° |
| C6 | C8 | H3 | 109.0° | 109.8° |
| C8 | C17 | C19 | 113.4° | 109.5° |
| C17 | C8 | H3 | 108.9° | 109.7° |
| C8 | C17 | H30 | 108.5° | 109.4° |
| C8 | C17 | H31 | 108.5° | 109.5° |
| C6 | C12 | C10 | 100.7° | 105.5° |
| C12 | C6 | H1 | 105.7° | 109.7° |
| C6 | C12 | H6 | 111.6° | 110.2° |
| C6 | C12 | H7 | 111.6° | 110.2° |
| C17 | C19 | H28 | 109.4° | 109.5° |
| C17 | C19 | H29 | 109.4° | 109.4° |
| C19 | C17 | H30 | 108.4° | 109.5° |
| C19 | C17 | H31 | 108.5° | 109.4° |
| C26 | C18 | O3 | 110.0° | 110.8° |
| C26 | C18 | O1 | 110.0° | 110.3° |
| C18 | C26 | C28 | 110.7° | 109.3° |
| C18 | C26 | H35 | 109.2° | 109.5° |
| C18 | C26 | H36 | 109.2° | 109.5° |
| O3 | C18 | O1 | 109.9° | 110.3° |
| C18 | O3 | C29 | 112.5° | 114.2° |
| C18 | O1 | C10 | 104.6° | 105.7° |
| C26 | C28 | C30 | 110.3° | 109.1° |
| C28 | C26 | H35 | 109.2° | 109.5° |
| C28 | C26 | H36 | 109.2° | 109.5° |
| C26 | C28 | H37 | 109.3° | 109.5° |
| C26 | C28 | H38 | 109.3° | 109.6° |
| C12 | C10 | O1 | 113.1° | 108.5° |
| C12 | C10 | H5 | 109.3° | 112.0° |
| C10 | C12 | H6 | 111.6° | 110.3° |
| C10 | C12 | H7 | 111.6° | 110.3° |
| O1 | C10 | H5 | 111.0° | 112.9° |
| O3 | C29 | C30 | 110.4° | 109.4° |
| O3 | C29 | H43 | 109.2° | 109.5° |
| O3 | C29 | H44 | 109.2° | 109.4° |
| C28 | C30 | C29 | 110.0° | 109.2° |
| C28 | C30 | C31 | 112.9° | 109.5° |
| C30 | C28 | H37 | 109.3° | 109.5° |
| C30 | C28 | H38 | 109.3° | 109.6° |
| C28 | C30 | H39 | 107.4° | 109.5° |
| C29 | C30 | C31 | 111.4° | 109.5° |
| C29 | C30 | H39 | 107.4° | 109.5° |
| C30 | C29 | H43 | 109.2° | 109.5° |
| C30 | C29 | H44 | 109.2° | 109.5° |
| C31 | C30 | H39 | 107.4° | 109.5° |
| C30 | C31 | H40 | 109.5° | 109.4° |
| C30 | C31 | H41 | 109.5° | 109.4° |
| C30 | C31 | H42 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 110.3° |
| H9 | C14 | H10 | 109.5° | 109.1° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.4° |
| H19 | C23 | H20 | 109.5° | 109.5° |
| H19 | C23 | H21 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.4° |
| H22 | C20 | H23 | 109.4° | 109.5° |
| H22 | C20 | H24 | 109.4° | 109.5° |
| H23 | C20 | H24 | 109.5° | 109.5° |
| H25 | C22 | H26 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H30 | C17 | H31 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.5° | 109.5° |
| H32 | C24 | H34 | 109.5° | 109.5° |
| H33 | C24 | H34 | 109.5° | 109.4° |
| H35 | C26 | H36 | 109.5° | 109.5° |
| H37 | C28 | H38 | 109.5° | 109.6° |
| H40 | C31 | H41 | 109.5° | 109.5° |
| H40 | C31 | H42 | 109.5° | 109.5° |
| H41 | C31 | H42 | 109.5° | 109.5° |
| H43 | C29 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C25 | C27 | H15 | 120.5° | 120.1° |
| C21 | C25 | C27 | H16 | 120.5° | 120.0° |
| C25 | C21 | C11 | H17 | 120.9° | 120.0° |
| C25 | C21 | C11 | H18 | 121.0° | 120.0° |
| C21 | C25 | C27 | O4 | 172.8° | 180.0° |
| C21 | C25 | C27 | C22 | 51.4° | 60.1° |
| C25 | C21 | C11 | C23 | 74.8° | 60.1° |
| C25 | C21 | C11 | C9 | 163.4° | 179.8° |
| C25 | C21 | C11 | C16 | 47.3° | 59.9° |
| C21 | C25 | C27 | H14 | 68.0° | 59.9° |
| C21 | C25 | H15 | H16 | 118.4° | 120.0° |
| C25 | C21 | H17 | H18 | 117.1° | 119.9° |
| C27 | C25 | C21 | C11 | 47.8° | 60.0° |
| C25 | C27 | O4 | C22 | 122.6° | 120.0° |
| C25 | C27 | O4 | H14 | 118.4° | 120.1° |
| C25 | C27 | C22 | H14 | 119.5° | 120.0° |
| C25 | C27 | C22 | C16 | 57.4° | 60.1° |
| C25 | C27 | O4 | H13 | 180.0° | 60.1° |
| C27 | C25 | H15 | H16 | 118.4° | 120.0° |
| C27 | C25 | C21 | H17 | 73.2° | 179.9° |
| C27 | C25 | C21 | H18 | 168.7° | 60.0° |
| C25 | C27 | C22 | H25 | 62.7° | 60.0° |
| C25 | C27 | C22 | H26 | 177.4° | 179.9° |
| O2 | C13 | C14 | C5 | 123.0° | 120.0° |
| O2 | C13 | C14 | H8 | 118.4° | 121.1° |
| O2 | C13 | C14 | C9 | 174.5° | 177.3° |
| O2 | C13 | C5 | H8 | 119.0° | 121.0° |
| O2 | C13 | C5 | C20 | 48.4° | 63.4° |
| O2 | C13 | C5 | C7 | 77.6° | 62.8° |
| O2 | C13 | C5 | C6 | 174.5° | 175.9° |
| O2 | C13 | C14 | H9 | 54.0° | 61.7° |
| O2 | C13 | C14 | H10 | 65.0° | 57.3° |
| C21 | C11 | C9 | C14 | 56.8° | 57.3° |
| C21 | C11 | C23 | C9 | 121.0° | 120.1° |
| C21 | C11 | C23 | C16 | 119.8° | 120.0° |
| C21 | C11 | C9 | C16 | 116.8° | 120.0° |
| C21 | C11 | C9 | C8 | 171.1° | 179.6° |
| C21 | C11 | C16 | C22 | 53.7° | 59.8° |
| C21 | C11 | C16 | C19 | 177.2° | 179.9° |
| C21 | C11 | C9 | H4 | 57.8° | 61.7° |
| C11 | C21 | C25 | H15 | 72.7° | 179.9° |
| C11 | C21 | C25 | H16 | 168.3° | 59.9° |
| C11 | C21 | H17 | H18 | 117.1° | 120.0° |
| C21 | C11 | C23 | H19 | 180.0° | 60.1° |
| C21 | C11 | C23 | H20 | 60.0° | 59.9° |
| C21 | C11 | C23 | H21 | 60.0° | 179.9° |
| C21 | C11 | C16 | H27 | 61.9° | 60.1° |
| C13 | C14 | C9 | H9 | 120.5° | 120.7° |
| C13 | C14 | C9 | H10 | 120.5° | 120.1° |
| C14 | C13 | C5 | H8 | 118.6° | 118.3° |
| C13 | C14 | C9 | C11 | 175.6° | 176.5° |
| C13 | C14 | C9 | C8 | 52.0° | 55.5° |
| C14 | C13 | C5 | C20 | 74.0° | 57.3° |
| C14 | C13 | C5 | C7 | 160.0° | 176.5° |
| C14 | C13 | C5 | C6 | 52.1° | 63.4° |
| C13 | C14 | C9 | H4 | 61.1° | 64.5° |
| C13 | C14 | H9 | H10 | 118.4° | 119.0° |
| C14 | C13 | O2 | H12 | 180.0° | 61.6° |
| C9 | C14 | C13 | C5 | 51.5° | 57.3° |
| C14 | C9 | C11 | C23 | 64.3° | 62.8° |
| C14 | C9 | C11 | C8 | 132.1° | 122.3° |
| C14 | C9 | C11 | H4 | 114.6° | 119.0° |
| C14 | C9 | C11 | C16 | 173.6° | 177.3° |
| C14 | C9 | C8 | H4 | 113.2° | 120.0° |
| C14 | C9 | C8 | C6 | 53.3° | 58.5° |
| C14 | C9 | C8 | C17 | 175.5° | 178.2° |
| C14 | C9 | C8 | H3 | 64.5° | 61.1° |
| C9 | C14 | C13 | H8 | 67.1° | 61.6° |
| C9 | C14 | H9 | H10 | 118.4° | 118.9° |
| O4 | C27 | C22 | H14 | 120.0° | 120.0° |
| O4 | C27 | C22 | C16 | 177.9° | 179.9° |
| O4 | C27 | C25 | H15 | 52.3° | 59.9° |
| O4 | C27 | C25 | H16 | 66.7° | 60.1° |
| O4 | C27 | C22 | H25 | 57.8° | 60.1° |
| O4 | C27 | C22 | H26 | 62.1° | 59.9° |
| C27 | C22 | C16 | C11 | 60.2° | 60.0° |
| C27 | C22 | C16 | H25 | 120.0° | 120.0° |
| C27 | C22 | C16 | H26 | 120.0° | 120.0° |
| C27 | C22 | C16 | C19 | 170.7° | 179.9° |
| C22 | C27 | O4 | H13 | 57.4° | 180.0° |
| C22 | C27 | C25 | H15 | 69.1° | 179.9° |
| C22 | C27 | C25 | H16 | 171.9° | 59.9° |
| C27 | C22 | H25 | H26 | 119.8° | 120.0° |
| C27 | C22 | C16 | H27 | 55.2° | 60.0° |
| C13 | C5 | C20 | C7 | 127.2° | 129.1° |
| C13 | C5 | C20 | C6 | 123.0° | 119.1° |
| C13 | C5 | C7 | C6 | 114.2° | 116.5° |
| C13 | C5 | C7 | C15 | 94.0° | 92.6° |
| C13 | C5 | C7 | C10 | 151.1° | 157.4° |
| C13 | C5 | C6 | C8 | 57.9° | 69.3° |
| C13 | C5 | C6 | C12 | 168.8° | 166.6° |
| C13 | C5 | C6 | H1 | 58.2° | 49.7° |
| C13 | C5 | C7 | H2 | 34.0° | 35.0° |
| C5 | C13 | C14 | H9 | 69.0° | 178.3° |
| C5 | C13 | C14 | H10 | 172.0° | 62.7° |
| C5 | C13 | O2 | H12 | 55.3° | 179.9° |
| C13 | C5 | C20 | H22 | 180.0° | 60.4° |
| C13 | C5 | C20 | H23 | 60.0° | 59.6° |
| C13 | C5 | C20 | H24 | 60.0° | 179.6° |
| C23 | C11 | C9 | C16 | 122.1° | 119.9° |
| C23 | C11 | C9 | C8 | 67.8° | 59.5° |
| C23 | C11 | C16 | C22 | 67.0° | 60.2° |
| C23 | C11 | C16 | C19 | 62.1° | 59.9° |
| C23 | C11 | C9 | H4 | 178.9° | 178.2° |
| C23 | C11 | C21 | H17 | 164.3° | 59.9° |
| C23 | C11 | C21 | H18 | 46.2° | 179.9° |
| C11 | C23 | H19 | H20 | 120.0° | 120.0° |
| C11 | C23 | H19 | H21 | 120.0° | 120.1° |
| C11 | C23 | H20 | H21 | 120.0° | 120.0° |
| C23 | C11 | C16 | H27 | 177.3° | 179.8° |
| C11 | C9 | C8 | H4 | 113.3° | 118.7° |
| C9 | C11 | C16 | C22 | 171.5° | 179.9° |
| C9 | C11 | C16 | C19 | 59.4° | 60.1° |
| C11 | C9 | C8 | C6 | 173.3° | 179.8° |
| C11 | C9 | C8 | C17 | 51.1° | 60.6° |
| C11 | C9 | C8 | H3 | 68.9° | 60.2° |
| C11 | C9 | C14 | H9 | 63.9° | 62.7° |
| C11 | C9 | C14 | H10 | 55.1° | 56.4° |
| C9 | C11 | C21 | H17 | 42.5° | 60.1° |
| C9 | C11 | C21 | H18 | 75.6° | 59.8° |
| C9 | C11 | C23 | H19 | 59.0° | 60.0° |
| C9 | C11 | C23 | H20 | 61.0° | 180.0° |
| C9 | C11 | C23 | H21 | 179.1° | 60.0° |
| C9 | C11 | C16 | H27 | 55.9° | 59.9° |
| C16 | C11 | C9 | C8 | 54.3° | 60.4° |
| C11 | C16 | C22 | C19 | 129.1° | 120.1° |
| C11 | C16 | C22 | H27 | 115.4° | 120.0° |
| C11 | C16 | C19 | H27 | 115.1° | 120.0° |
| C11 | C16 | C19 | C17 | 60.4° | 59.8° |
| C16 | C11 | C9 | H4 | 59.0° | 58.3° |
| C16 | C11 | C21 | H17 | 73.6° | 179.9° |
| C16 | C11 | C21 | H18 | 168.2° | 60.1° |
| C16 | C11 | C23 | H19 | 60.2° | 180.0° |
| C16 | C11 | C23 | H20 | 179.8° | 60.1° |
| C16 | C11 | C23 | H21 | 59.9° | 59.9° |
| C11 | C16 | C22 | H25 | 59.9° | 60.0° |
| C11 | C16 | C22 | H26 | 179.8° | 180.0° |
| C11 | C16 | C19 | H28 | 59.7° | 60.3° |
| C11 | C16 | C19 | H29 | 179.6° | 179.8° |
| C9 | C8 | C6 | C5 | 58.1° | 64.5° |
| C9 | C8 | C6 | C17 | 122.4° | 118.8° |
| C9 | C8 | C6 | H3 | 117.5° | 120.1° |
| C9 | C8 | C17 | H3 | 119.8° | 121.2° |
| C9 | C8 | C6 | C12 | 177.0° | 180.0° |
| C9 | C8 | C17 | C19 | 50.3° | 60.4° |
| C9 | C8 | C6 | H1 | 57.8° | 54.6° |
| C8 | C9 | C14 | H9 | 68.5° | 176.2° |
| C8 | C9 | C14 | H10 | 172.5° | 64.6° |
| C9 | C8 | C17 | H30 | 70.3° | 59.7° |
| C9 | C8 | C17 | H31 | 170.9° | 179.7° |
| C24 | C15 | C7 | C5 | 108.7° | 130.6° |
| C24 | C15 | C7 | C18 | 125.0° | 118.7° |
| C24 | C15 | C7 | H11 | 120.3° | 122.7° |
| C24 | C15 | C18 | H11 | 122.4° | 122.6° |
| C24 | C15 | C7 | C10 | 136.6° | 119.9° |
| C24 | C15 | C18 | C26 | 83.7° | 98.0° |
| C24 | C15 | C18 | O3 | 40.4° | 24.4° |
| C24 | C15 | C18 | O1 | 157.5° | 143.3° |
| C24 | C15 | C7 | H2 | 19.1° | 3.4° |
| C15 | C24 | H32 | H33 | 120.0° | 120.1° |
| C15 | C24 | H32 | H34 | 120.0° | 120.0° |
| C15 | C24 | H33 | H34 | 120.0° | 120.0° |
| C22 | C16 | C19 | H27 | 115.4° | 119.9° |
| C22 | C16 | C19 | C17 | 170.2° | 179.9° |
| C16 | C22 | C27 | H14 | 62.2° | 59.9° |
| C16 | C22 | H25 | H26 | 119.9° | 120.0° |
| C22 | C16 | C19 | H28 | 69.8° | 59.9° |
| C22 | C16 | C19 | H29 | 50.1° | 60.1° |
| C20 | C5 | C7 | C6 | 119.6° | 117.3° |
| C20 | C5 | C7 | C15 | 32.1° | 33.6° |
| C20 | C5 | C7 | C10 | 82.7° | 76.4° |
| C20 | C5 | C6 | C8 | 66.6° | 51.4° |
| C20 | C5 | C6 | C12 | 66.6° | 72.7° |
| C20 | C5 | C6 | H1 | 177.3° | 170.4° |
| C20 | C5 | C7 | H2 | 160.1° | 161.2° |
| C20 | C5 | C13 | H8 | 167.4° | 175.7° |
| C5 | C20 | H22 | H23 | 120.0° | 119.9° |
| C5 | C20 | H22 | H24 | 120.0° | 120.0° |
| C5 | C20 | H23 | H24 | 120.0° | 120.0° |
| C5 | C7 | C15 | C10 | 114.7° | 109.5° |
| C5 | C7 | C15 | H2 | 127.8° | 127.2° |
| C5 | C7 | C15 | C18 | 126.3° | 110.7° |
| C5 | C7 | C10 | H2 | 117.0° | 122.3° |
| C7 | C5 | C6 | C8 | 175.9° | 168.6° |
| C7 | C5 | C6 | C12 | 50.8° | 44.5° |
| C5 | C7 | C10 | C12 | 11.6° | 22.8° |
| C5 | C7 | C10 | O1 | 109.8° | 91.9° |
| C7 | C5 | C6 | H1 | 59.8° | 72.4° |
| C5 | C7 | C10 | H5 | 130.7° | 145.5° |
| C7 | C5 | C13 | H8 | 41.4° | 58.1° |
| C5 | C7 | C15 | H11 | 11.6° | 8.0° |
| C7 | C5 | C20 | H22 | 52.8° | 68.7° |
| C7 | C5 | C20 | H23 | 67.2° | 171.3° |
| C7 | C5 | C20 | H24 | 172.8° | 51.3° |
| C6 | C5 | C7 | C15 | 151.8° | 150.9° |
| C6 | C5 | C7 | C10 | 36.9° | 40.9° |
| C5 | C6 | C8 | C12 | 124.9° | 115.5° |
| C5 | C6 | C8 | H1 | 115.9° | 119.1° |
| C5 | C6 | C8 | C17 | 179.5° | 176.7° |
| C5 | C6 | C12 | H1 | 110.4° | 116.9° |
| C5 | C6 | C12 | C10 | 43.7° | 30.0° |
| C6 | C5 | C7 | H2 | 80.2° | 81.5° |
| C5 | C6 | C8 | H3 | 59.4° | 55.7° |
| C5 | C6 | C12 | H6 | 74.8° | 89.1° |
| C5 | C6 | C12 | H7 | 162.3° | 149.0° |
| C6 | C5 | C13 | H8 | 66.6° | 55.0° |
| C6 | C5 | C20 | H22 | 57.1° | 179.5° |
| C6 | C5 | C20 | H23 | 177.0° | 59.5° |
| C6 | C5 | C20 | H24 | 63.0° | 60.5° |
| C16 | C19 | C17 | C8 | 54.7° | 60.1° |
| C16 | C19 | C17 | H28 | 120.0° | 120.0° |
| C16 | C19 | C17 | H29 | 120.1° | 120.0° |
| C19 | C16 | C22 | H25 | 69.3° | 60.1° |
| C19 | C16 | C22 | H26 | 50.6° | 59.9° |
| C16 | C19 | H28 | H29 | 119.8° | 119.9° |
| C16 | C19 | C17 | H30 | 65.9° | 59.9° |
| C16 | C19 | C17 | H31 | 175.3° | 179.9° |
| C7 | C15 | C18 | H11 | 114.8° | 118.7° |
| C15 | C7 | C10 | H2 | 117.6° | 123.5° |
| C7 | C15 | C18 | C26 | 153.5° | 143.4° |
| C7 | C15 | C18 | O3 | 82.4° | 94.2° |
| C7 | C15 | C18 | O1 | 34.8° | 24.6° |
| C15 | C7 | C10 | C12 | 137.0° | 137.1° |
| C15 | C7 | C10 | O1 | 15.6° | 22.4° |
| C15 | C7 | C10 | H5 | 103.9° | 100.3° |
| C7 | C15 | C24 | H32 | 180.0° | 60.0° |
| C7 | C15 | C24 | H33 | 60.0° | 179.9° |
| C7 | C15 | C24 | H34 | 60.0° | 60.0° |
| C18 | C15 | C7 | C10 | 11.6° | 1.2° |
| C15 | C18 | C26 | O3 | 124.3° | 122.0° |
| C15 | C18 | C26 | O1 | 114.5° | 115.6° |
| C15 | C18 | O3 | O1 | 112.6° | 115.7° |
| C15 | C18 | C26 | C28 | 179.9° | 178.0° |
| C15 | C18 | O1 | C10 | 46.4° | 40.4° |
| C15 | C18 | O3 | C29 | 171.3° | 178.6° |
| C18 | C15 | C7 | H2 | 105.9° | 122.1° |
| C18 | C15 | C24 | H32 | 62.6° | 174.8° |
| C18 | C15 | C24 | H33 | 57.4° | 65.1° |
| C18 | C15 | C24 | H34 | 177.4° | 54.8° |
| C15 | C18 | C26 | H35 | 59.7° | 58.1° |
| C15 | C18 | C26 | H36 | 59.9° | 62.0° |
| C7 | C10 | C12 | C6 | 19.4° | 4.6° |
| C7 | C10 | O1 | C18 | 39.0° | 39.3° |
| C7 | C10 | C12 | O1 | 116.8° | 112.1° |
| C7 | C10 | C12 | H5 | 119.0° | 122.6° |
| C7 | C10 | O1 | H5 | 118.4° | 122.1° |
| C7 | C10 | C12 | H6 | 99.2° | 114.4° |
| C7 | C10 | C12 | H7 | 137.9° | 123.6° |
| C10 | C7 | C15 | H11 | 103.1° | 117.5° |
| C6 | C8 | C17 | H3 | 120.2° | 121.1° |
| C8 | C6 | C12 | H1 | 119.2° | 125.3° |
| C6 | C8 | C17 | C19 | 170.4° | 178.0° |
| C8 | C6 | C12 | C10 | 174.1° | 147.8° |
| C6 | C8 | C9 | H4 | 60.0° | 61.5° |
| C8 | C6 | C12 | H6 | 55.6° | 28.8° |
| C8 | C6 | C12 | H7 | 67.3° | 93.2° |
| C6 | C8 | C17 | H30 | 49.8° | 58.0° |
| C6 | C8 | C17 | H31 | 69.0° | 62.1° |
| C17 | C8 | C6 | C12 | 54.6° | 61.2° |
| C8 | C17 | C19 | H30 | 120.6° | 120.0° |
| C8 | C17 | C19 | H31 | 120.6° | 119.9° |
| C17 | C8 | C6 | H1 | 64.6° | 64.1° |
| C17 | C8 | C9 | H4 | 62.3° | 58.2° |
| C8 | C17 | C19 | H28 | 65.4° | 59.9° |
| C8 | C17 | C19 | H29 | 174.7° | 179.9° |
| C8 | C17 | H30 | H31 | 118.2° | 120.0° |
| C6 | C12 | C10 | H6 | 118.6° | 119.0° |
| C6 | C12 | C10 | H7 | 118.6° | 119.0° |
| C6 | C12 | C10 | O1 | 136.1° | 116.7° |
| C12 | C6 | C8 | H3 | 65.5° | 59.9° |
| C6 | C12 | C10 | H5 | 99.6° | 118.1° |
| C6 | C12 | H6 | H7 | 124.1° | 121.9° |
| C19 | C17 | C8 | H3 | 69.4° | 60.9° |
| C17 | C19 | C16 | H27 | 54.7° | 60.2° |
| C17 | C19 | H28 | H29 | 119.8° | 120.0° |
| C19 | C17 | H30 | H31 | 118.2° | 120.0° |
| C26 | C18 | O3 | O1 | 121.3° | 122.4° |
| C18 | C26 | C28 | H35 | 120.2° | 119.9° |
| C18 | C26 | C28 | H36 | 120.2° | 120.0° |
| C26 | C18 | O1 | C10 | 167.6° | 159.0° |
| C26 | C18 | O3 | C29 | 62.6° | 59.5° |
| C18 | C26 | C28 | C30 | 51.0° | 56.0° |
| C26 | C18 | C15 | H11 | 38.7° | 24.7° |
| C18 | C26 | H35 | H36 | 119.5° | 120.1° |
| C18 | C26 | C28 | H37 | 171.1° | 175.9° |
| C18 | C26 | C28 | H38 | 69.1° | 63.9° |
| O3 | C18 | C26 | C28 | 55.6° | 56.1° |
| O3 | C18 | O1 | C10 | 71.1° | 78.3° |
| C18 | O3 | C29 | C30 | 63.5° | 60.1° |
| O3 | C18 | C15 | H11 | 162.8° | 147.1° |
| O3 | C18 | C26 | H35 | 64.6° | 63.9° |
| O3 | C18 | C26 | H36 | 175.8° | 176.0° |
| C18 | O3 | C29 | H43 | 56.6° | 179.8° |
| C18 | O3 | C29 | H44 | 176.3° | 59.9° |
| O1 | C18 | C26 | C28 | 65.7° | 66.3° |
| C18 | O1 | C10 | C12 | 157.4° | 152.4° |
| O1 | C18 | O3 | C29 | 58.7° | 62.9° |
| C18 | O1 | C10 | H5 | 79.3° | 82.9° |
| O1 | C18 | C15 | H11 | 80.0° | 94.1° |
| O1 | C18 | C26 | H35 | 174.2° | 173.7° |
| O1 | C18 | C26 | H36 | 54.5° | 53.6° |
| C26 | C28 | C30 | H37 | 120.1° | 119.8° |
| C26 | C28 | C30 | H38 | 120.1° | 119.9° |
| C26 | C28 | C30 | C29 | 51.3° | 57.4° |
| C26 | C28 | C30 | C31 | 176.5° | 177.3° |
| C28 | C26 | H35 | H36 | 119.4° | 120.1° |
| C26 | C28 | H37 | H38 | 119.6° | 120.2° |
| C26 | C28 | C30 | H39 | 65.3° | 62.6° |
| C12 | C10 | O1 | H5 | 123.3° | 124.8° |
| C10 | C12 | C6 | H1 | 66.7° | 86.9° |
| C12 | C10 | C7 | H2 | 105.4° | 99.4° |
| C10 | C12 | H6 | H7 | 124.1° | 122.0° |
| O1 | C10 | C7 | H2 | 133.2° | 145.9° |
| O1 | C10 | C12 | H6 | 17.6° | 2.3° |
| O1 | C10 | C12 | H7 | 105.3° | 124.4° |
| O3 | C29 | C30 | C28 | 56.8° | 58.0° |
| O3 | C29 | C30 | H43 | 120.1° | 120.0° |
| O3 | C29 | C30 | H44 | 120.1° | 120.0° |
| O3 | C29 | C30 | C31 | 177.1° | 178.0° |
| O3 | C29 | C30 | H39 | 59.8° | 61.9° |
| O3 | C29 | H43 | H44 | 119.6° | 119.9° |
| C28 | C30 | C29 | C31 | 126.0° | 119.9° |
| C28 | C30 | C29 | H39 | 116.6° | 119.9° |
| C28 | C30 | C31 | H39 | 118.2° | 120.1° |
| C30 | C28 | C26 | H35 | 69.2° | 63.9° |
| C30 | C28 | C26 | H36 | 171.2° | 176.0° |
| C30 | C28 | H37 | H38 | 119.6° | 120.2° |
| C28 | C30 | C31 | H40 | 180.0° | 60.0° |
| C28 | C30 | C31 | H41 | 60.0° | 180.0° |
| C28 | C30 | C31 | H42 | 60.0° | 60.0° |
| C28 | C30 | C29 | H43 | 63.3° | 178.0° |
| C28 | C30 | C29 | H44 | 177.0° | 61.9° |
| C29 | C30 | C31 | H39 | 117.4° | 120.2° |
| C29 | C30 | C28 | H37 | 171.5° | 177.2° |
| C29 | C30 | C28 | H38 | 68.8° | 62.5° |
| C29 | C30 | C31 | H40 | 55.6° | 59.7° |
| C29 | C30 | C31 | H41 | 175.6° | 60.3° |
| C29 | C30 | C31 | H42 | 64.4° | 179.7° |
| C30 | C29 | H43 | H44 | 119.6° | 120.1° |
| C31 | C30 | C28 | H37 | 63.4° | 62.8° |
| C31 | C30 | C28 | H38 | 56.3° | 57.4° |
| C30 | C31 | H40 | H41 | 120.0° | 120.0° |
| C30 | C31 | H40 | H42 | 120.0° | 120.0° |
| C30 | C31 | H41 | H42 | 120.0° | 120.0° |
| C31 | C30 | C29 | H43 | 62.7° | 62.1° |
| C31 | C30 | C29 | H44 | 57.0° | 58.0° |
| H1 | C6 | C8 | H3 | 175.3° | 174.8° |
| H1 | C6 | C12 | H6 | 174.8° | 154.1° |
| H1 | C6 | C12 | H7 | 51.9° | 32.1° |
| H2 | C7 | C10 | H5 | 13.7° | 23.2° |
| H2 | C7 | C15 | H11 | 139.4° | 119.3° |
| H3 | C8 | C9 | H4 | 177.8° | 178.9° |
| H3 | C8 | C17 | H30 | 170.0° | 179.1° |
| H3 | C8 | C17 | H31 | 51.2° | 59.1° |
| H4 | C9 | C14 | H9 | 178.4° | 56.2° |
| H4 | C9 | C14 | H10 | 59.4° | 175.4° |
| H5 | C10 | C12 | H6 | 141.8° | 122.9° |
| H5 | C10 | C12 | H7 | 18.9° | 0.9° |
| H8 | C13 | C14 | H9 | 172.4° | 59.4° |
| H8 | C13 | C14 | H10 | 53.4° | 178.5° |
| H8 | C13 | O2 | H12 | 62.6° | 59.1° |
| H11 | C15 | C24 | H32 | 59.7° | 62.6° |
| H11 | C15 | C24 | H33 | 179.7° | 57.5° |
| H11 | C15 | C24 | H34 | 60.3° | 177.4° |
| H13 | O4 | C27 | H14 | 61.6° | 60.0° |
| H14 | C27 | C25 | H15 | 171.5° | 60.2° |
| H14 | C27 | C25 | H16 | 52.5° | 179.9° |
| H14 | C27 | C22 | H25 | 177.8° | 180.0° |
| H14 | C27 | C22 | H26 | 57.9° | 60.1° |
| H15 | C25 | C21 | H17 | 166.3° | 59.9° |
| H15 | C25 | C21 | H18 | 48.2° | 60.0° |
| H16 | C25 | C21 | H17 | 47.3° | 60.1° |
| H16 | C25 | C21 | H18 | 70.8° | 180.0° |
| H19 | C23 | H20 | H21 | 120.0° | 120.0° |
| H22 | C20 | H23 | H24 | 119.9° | 120.1° |
| H25 | C22 | C16 | H27 | 175.3° | 180.0° |
| H26 | C22 | C16 | H27 | 64.8° | 60.0° |
| H27 | C16 | C19 | H28 | 174.8° | 179.8° |
| H27 | C16 | C19 | H29 | 65.4° | 59.8° |
| H28 | C19 | C17 | H30 | 174.0° | 179.9° |
| H28 | C19 | C17 | H31 | 55.2° | 60.1° |
| H29 | C19 | C17 | H30 | 54.1° | 60.1° |
| H29 | C19 | C17 | H31 | 64.7° | 59.9° |
| H32 | C24 | H33 | H34 | 120.0° | 120.0° |
| H35 | C26 | C28 | H37 | 51.0° | 55.9° |
| H35 | C26 | C28 | H38 | 170.7° | 176.2° |
| H36 | C26 | C28 | H37 | 68.7° | 64.2° |
| H36 | C26 | C28 | H38 | 51.1° | 56.1° |
| H37 | C28 | C30 | H39 | 54.8° | 57.3° |
| H38 | C28 | C30 | H39 | 174.6° | 177.5° |
| H39 | C30 | C31 | H40 | 61.8° | 179.9° |
| H39 | C30 | C31 | H41 | 58.2° | 59.9° |
| H39 | C30 | C31 | H42 | 178.2° | 60.1° |
| H39 | C30 | C29 | H43 | 179.9° | 58.1° |
| H39 | C30 | C29 | H44 | 60.4° | 178.1° |
| H40 | C31 | H41 | H42 | 120.0° | 120.0° |
