88K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.52Å | 1.53Å | |
| O1 | C22 | sing | 1.43Å | 1.43Å | |
| C29 | C1 | sing | 1.54Å | 1.50Å | |
| C20 | C19 | sing | 1.54Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| O2 | C12 | sing | 1.43Å | 1.49Å | |
| C13 | C12 | sing | 1.54Å | 1.54Å | |
| C13 | C14 | sing | 1.52Å | 1.58Å | |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| C1 | O | sing | 1.41Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C19 | C26 | sing | 1.52Å | 1.53Å | |
| C19 | C14 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.52Å | 1.56Å | |
| C23 | C25 | sing | 1.53Å | 1.49Å | |
| C23 | C18 | sing | 1.51Å | 1.56Å | |
| C23 | C24 | sing | 1.55Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| O | C5 | sing | 1.41Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C28 | C10 | sing | 1.53Å | 1.56Å | |
| C11 | C7 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.55Å | 1.54Å | |
| C5 | C7 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C15 | C10 | sing | 1.52Å | 1.57Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C27 | sing | 1.54Å | 1.57Å | |
| C7 | C8 | sing | 1.55Å | 1.56Å | |
| C10 | C9 | sing | 1.54Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.54Å | 1.53Å | |
| C8 | C9 | sing | 1.56Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.08Å | 1.10Å | |
| C11 | H13 | sing | 1.10Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.08Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.11Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| O1 | H22 | sing | 0.97Å | 0.95Å | |
| C22 | H23 | sing | 1.10Å | 1.10Å | |
| C21 | H24 | sing | 1.10Å | 1.10Å | |
| C21 | H25 | sing | 1.08Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.12Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C17 | H38 | sing | 1.09Å | 1.10Å | |
| C17 | H39 | sing | 1.08Å | 1.10Å | |
| O2 | H40 | sing | 0.97Å | 0.95Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C | H47 | sing | 1.09Å | 1.10Å | |
| C | H48 | sing | 1.09Å | 1.10Å | |
| C | H49 | sing | 1.09Å | 1.10Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 112.9° | 110.2° |
| C21 | C20 | C19 | 114.8° | 109.3° |
| C20 | C21 | H24 | 108.6° | 108.1° |
| C20 | C21 | H25 | 108.6° | 111.5° |
| C21 | C20 | H26 | 108.1° | 109.9° |
| C21 | C20 | H27 | 108.1° | 109.6° |
| C21 | C22 | O1 | 108.4° | 109.2° |
| C21 | C22 | C23 | 110.9° | 112.2° |
| C21 | C22 | H23 | 107.9° | 109.3° |
| C22 | C21 | H24 | 108.6° | 108.5° |
| C22 | C21 | H25 | 108.6° | 110.8° |
| O1 | C22 | C23 | 112.7° | 108.9° |
| C22 | O1 | H22 | 109.5° | 114.0° |
| O1 | C22 | H23 | 109.1° | 108.3° |
| C29 | C1 | C | 99.5° | 107.3° |
| C29 | C1 | O | 107.9° | 108.4° |
| C29 | C1 | C2 | 108.8° | 107.7° |
| C1 | C29 | H50 | 109.5° | 109.5° |
| C1 | C29 | H51 | 109.5° | 109.5° |
| C1 | C29 | H52 | 109.5° | 109.5° |
| C20 | C19 | C26 | 108.4° | 107.8° |
| C20 | C19 | C14 | 102.3° | 107.9° |
| C20 | C19 | C18 | 105.6° | 107.9° |
| C19 | C20 | H26 | 108.1° | 108.9° |
| C19 | C20 | H27 | 108.1° | 109.1° |
| C22 | C23 | C25 | 117.3° | 110.1° |
| C22 | C23 | C18 | 105.4° | 112.1° |
| C22 | C23 | C24 | 102.2° | 106.2° |
| C23 | C22 | H23 | 107.7° | 108.8° |
| O2 | C12 | C13 | 105.3° | 108.7° |
| O2 | C12 | C11 | 113.5° | 110.0° |
| O2 | C12 | H14 | 108.2° | 108.8° |
| C12 | O2 | H40 | 109.5° | 113.9° |
| C12 | C13 | C14 | 115.8° | 109.9° |
| C13 | C12 | C11 | 113.7° | 108.1° |
| C13 | C12 | H14 | 107.7° | 109.8° |
| C12 | C13 | H15 | 107.8° | 108.9° |
| C12 | C13 | H16 | 107.8° | 108.2° |
| C13 | C14 | C19 | 114.0° | 112.1° |
| C13 | C14 | C15 | 110.4° | 112.0° |
| C14 | C13 | H15 | 107.9° | 111.1° |
| C14 | C13 | H16 | 107.9° | 109.3° |
| C13 | C14 | H17 | 103.9° | 105.4° |
| C | C1 | O | 113.9° | 111.0° |
| C | C1 | C2 | 118.9° | 109.4° |
| C1 | C | H47 | 109.5° | 109.4° |
| C1 | C | H48 | 109.5° | 109.4° |
| C1 | C | H49 | 109.4° | 109.5° |
| C12 | C11 | C7 | 123.5° | 117.4° |
| C12 | C11 | C10 | 110.3° | 110.4° |
| C12 | C11 | H13 | 106.0° | 108.9° |
| C11 | C12 | H14 | 108.3° | 111.5° |
| O | C1 | C2 | 107.1° | 112.8° |
| C1 | O | C5 | 121.2° | 123.7° |
| C1 | C2 | C3 | 115.1° | 110.1° |
| C1 | C2 | H1 | 108.1° | 109.4° |
| C1 | C2 | H2 | 108.1° | 109.4° |
| C26 | C19 | C14 | 119.0° | 111.2° |
| C26 | C19 | C18 | 113.3° | 113.3° |
| C19 | C26 | H35 | 109.5° | 109.4° |
| C19 | C26 | H36 | 109.5° | 109.5° |
| C19 | C26 | H37 | 109.5° | 109.5° |
| C14 | C19 | C18 | 106.9° | 108.5° |
| C19 | C14 | C15 | 118.2° | 115.0° |
| C19 | C14 | H17 | 104.2° | 103.9° |
| C19 | C18 | C23 | 114.8° | 115.9° |
| C19 | C18 | C17 | 110.8° | 110.2° |
| C19 | C18 | H34 | 103.6° | 105.3° |
| C25 | C23 | C18 | 118.0° | 113.0° |
| C25 | C23 | C24 | 105.4° | 106.9° |
| C23 | C25 | H31 | 109.5° | 109.5° |
| C23 | C25 | H32 | 109.5° | 109.5° |
| C23 | C25 | H33 | 109.5° | 109.4° |
| C18 | C23 | C24 | 107.1° | 108.1° |
| C23 | C18 | C17 | 118.3° | 113.3° |
| C23 | C18 | H34 | 103.6° | 105.9° |
| C23 | C24 | H28 | 109.5° | 109.4° |
| C23 | C24 | H29 | 109.4° | 109.5° |
| C23 | C24 | H30 | 109.5° | 109.4° |
| C14 | C15 | C10 | 107.7° | 107.6° |
| C14 | C15 | C16 | 109.5° | 110.9° |
| C14 | C15 | C27 | 110.3° | 111.9° |
| C15 | C14 | H17 | 104.4° | 107.6° |
| O | C5 | C7 | 104.9° | 108.4° |
| O | C5 | C6 | 108.9° | 111.0° |
| O | C5 | C4 | 113.5° | 112.8° |
| C2 | C3 | C4 | 106.2° | 108.5° |
| C3 | C2 | H1 | 108.0° | 109.5° |
| C3 | C2 | H2 | 108.1° | 109.4° |
| C2 | C3 | H3 | 110.3° | 109.2° |
| C2 | C3 | H4 | 110.3° | 110.5° |
| C18 | C17 | C16 | 112.1° | 107.7° |
| C17 | C18 | H34 | 103.7° | 105.2° |
| C18 | C17 | H38 | 108.8° | 110.3° |
| C18 | C17 | H39 | 108.8° | 111.7° |
| C28 | C10 | C11 | 109.2° | 110.9° |
| C28 | C10 | C15 | 117.7° | 111.6° |
| C28 | C10 | C9 | 107.2° | 108.4° |
| C10 | C28 | H44 | 109.5° | 109.5° |
| C10 | C28 | H45 | 109.5° | 109.5° |
| C10 | C28 | H46 | 109.5° | 109.5° |
| C7 | C11 | C10 | 104.6° | 102.3° |
| C11 | C7 | C5 | 119.7° | 110.1° |
| C11 | C7 | C8 | 102.5° | 104.6° |
| C11 | C7 | H8 | 107.1° | 110.9° |
| C7 | C11 | H13 | 105.6° | 107.0° |
| C11 | C10 | C15 | 109.5° | 109.1° |
| C11 | C10 | C9 | 99.9° | 100.3° |
| C10 | C11 | H13 | 105.4° | 110.6° |
| C7 | C5 | C6 | 110.0° | 107.4° |
| C7 | C5 | C4 | 113.1° | 107.7° |
| C5 | C7 | C8 | 112.9° | 109.8° |
| C5 | C7 | H8 | 107.3° | 110.4° |
| C6 | C5 | C4 | 106.3° | 109.4° |
| C5 | C6 | H5 | 109.5° | 109.4° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H7 | 109.4° | 109.5° |
| C5 | C4 | C3 | 113.0° | 110.2° |
| C5 | C4 | H18 | 108.6° | 109.4° |
| C5 | C4 | H19 | 108.6° | 109.4° |
| C10 | C15 | C16 | 110.1° | 110.5° |
| C10 | C15 | C27 | 115.0° | 108.0° |
| C15 | C10 | C9 | 111.8° | 116.0° |
| C16 | C15 | C27 | 104.0° | 107.9° |
| C15 | C16 | C17 | 114.2° | 110.0° |
| C15 | C16 | H20 | 108.2° | 110.9° |
| C15 | C16 | H21 | 108.3° | 109.4° |
| C15 | C27 | H41 | 109.5° | 109.5° |
| C15 | C27 | H42 | 109.5° | 109.5° |
| C15 | C27 | H43 | 109.5° | 109.4° |
| C7 | C8 | C9 | 106.4° | 106.1° |
| C8 | C7 | H8 | 106.7° | 111.0° |
| C7 | C8 | H9 | 110.2° | 110.5° |
| C7 | C8 | H10 | 110.2° | 109.9° |
| C10 | C9 | C8 | 106.7° | 102.0° |
| C10 | C9 | H11 | 110.2° | 110.1° |
| C10 | C9 | H12 | 110.2° | 112.6° |
| C4 | C3 | H3 | 110.3° | 109.2° |
| C4 | C3 | H4 | 110.3° | 110.6° |
| C3 | C4 | H18 | 108.6° | 109.5° |
| C3 | C4 | H19 | 108.6° | 109.4° |
| C17 | C16 | H20 | 108.3° | 108.2° |
| C17 | C16 | H21 | 108.3° | 108.9° |
| C16 | C17 | H38 | 108.8° | 107.9° |
| C16 | C17 | H39 | 108.8° | 110.4° |
| C9 | C8 | H9 | 110.2° | 110.4° |
| C9 | C8 | H10 | 110.2° | 109.6° |
| C8 | C9 | H11 | 110.1° | 110.4° |
| C8 | C9 | H12 | 110.1° | 110.3° |
| H1 | C2 | H2 | 109.5° | 109.0° |
| H3 | C3 | H4 | 109.5° | 108.8° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H5 | C6 | H7 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H9 | C8 | H10 | 109.5° | 110.3° |
| H11 | C9 | H12 | 109.5° | 111.1° |
| H15 | C13 | H16 | 109.5° | 109.3° |
| H18 | C4 | H19 | 109.5° | 108.9° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 107.5° |
| H26 | C20 | H27 | 109.5° | 110.0° |
| H28 | C24 | H29 | 109.5° | 109.5° |
| H28 | C24 | H30 | 109.4° | 109.5° |
| H29 | C24 | H30 | 109.5° | 109.5° |
| H31 | C25 | H32 | 109.5° | 109.5° |
| H31 | C25 | H33 | 109.5° | 109.4° |
| H32 | C25 | H33 | 109.5° | 109.4° |
| H35 | C26 | H36 | 109.5° | 109.4° |
| H35 | C26 | H37 | 109.4° | 109.5° |
| H36 | C26 | H37 | 109.5° | 109.5° |
| H38 | C17 | H39 | 109.5° | 108.8° |
| H41 | C27 | H42 | 109.4° | 109.5° |
| H41 | C27 | H43 | 109.4° | 109.5° |
| H42 | C27 | H43 | 109.5° | 109.5° |
| H44 | C28 | H45 | 109.4° | 109.5° |
| H44 | C28 | H46 | 109.5° | 109.5° |
| H45 | C28 | H46 | 109.5° | 109.5° |
| H47 | C | H48 | 109.5° | 109.4° |
| H47 | C | H49 | 109.5° | 109.5° |
| H48 | C | H49 | 109.5° | 109.5° |
| H50 | C29 | H51 | 109.5° | 109.5° |
| H50 | C29 | H52 | 109.4° | 109.4° |
| H51 | C29 | H52 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H24 | 120.5° | 118.2° |
| C20 | C21 | C22 | H25 | 120.5° | 124.0° |
| C20 | C21 | C22 | O1 | 179.9° | 176.9° |
| C21 | C20 | C19 | H26 | 120.8° | 120.0° |
| C21 | C20 | C19 | H27 | 120.8° | 119.9° |
| C20 | C21 | C22 | C23 | 55.7° | 56.0° |
| C21 | C20 | C19 | C26 | 70.6° | 62.6° |
| C21 | C20 | C19 | C14 | 162.8° | 177.2° |
| C21 | C20 | C19 | C18 | 51.1° | 60.1° |
| C20 | C21 | C22 | H23 | 62.1° | 64.8° |
| C20 | C21 | H24 | H25 | 118.5° | 120.6° |
| C21 | C20 | H26 | H27 | 117.6° | 120.8° |
| C21 | C22 | O1 | C23 | 123.1° | 122.9° |
| C21 | C22 | O1 | H23 | 117.3° | 118.9° |
| C22 | C21 | C20 | C19 | 52.8° | 63.0° |
| C21 | C22 | C23 | H23 | 117.8° | 121.1° |
| C21 | C22 | C23 | C25 | 75.2° | 79.5° |
| C21 | C22 | C23 | C18 | 58.4° | 47.2° |
| C21 | C22 | C23 | C24 | 170.2° | 165.1° |
| C21 | C22 | O1 | H22 | 180.0° | 57.1° |
| C22 | C21 | H24 | H25 | 118.4° | 119.9° |
| C22 | C21 | C20 | H26 | 68.0° | 56.4° |
| C22 | C21 | C20 | H27 | 173.5° | 177.4° |
| O1 | C22 | C23 | H23 | 120.4° | 117.9° |
| O1 | C22 | C23 | C25 | 46.5° | 41.6° |
| O1 | C22 | C23 | C18 | 179.9° | 168.3° |
| O1 | C22 | C23 | C24 | 68.1° | 73.8° |
| O1 | C22 | C21 | H24 | 59.4° | 64.9° |
| O1 | C22 | C21 | H25 | 59.6° | 52.9° |
| C29 | C1 | C | O | 114.5° | 118.2° |
| C29 | C1 | C | C2 | 117.8° | 116.6° |
| C29 | C1 | O | C2 | 117.0° | 119.2° |
| C29 | C1 | O | C5 | 163.2° | 157.3° |
| C29 | C1 | C2 | C3 | 174.1° | 166.7° |
| C29 | C1 | C2 | H1 | 53.3° | 46.3° |
| C29 | C1 | C2 | H2 | 65.1° | 73.0° |
| C29 | C1 | C | H47 | 180.0° | 178.3° |
| C29 | C1 | C | H48 | 60.0° | 61.8° |
| C29 | C1 | C | H49 | 60.0° | 58.3° |
| C1 | C29 | H50 | H51 | 120.0° | 120.1° |
| C1 | C29 | H50 | H52 | 120.0° | 120.0° |
| C1 | C29 | H51 | H52 | 120.0° | 120.0° |
| C20 | C19 | C14 | C13 | 62.0° | 62.0° |
| C20 | C19 | C26 | C14 | 116.2° | 118.2° |
| C20 | C19 | C26 | C18 | 116.8° | 119.3° |
| C20 | C19 | C14 | C18 | 110.8° | 116.7° |
| C20 | C19 | C18 | C23 | 58.6° | 53.7° |
| C20 | C19 | C14 | C15 | 165.9° | 168.5° |
| C20 | C19 | C18 | C17 | 164.2° | 176.0° |
| C20 | C19 | C14 | H17 | 50.6° | 51.2° |
| C19 | C20 | C21 | H24 | 67.7° | 178.5° |
| C19 | C20 | C21 | H25 | 173.3° | 60.5° |
| C19 | C20 | H26 | H27 | 117.6° | 119.6° |
| C20 | C19 | C18 | H34 | 53.6° | 63.0° |
| C20 | C19 | C26 | H35 | 180.0° | 49.2° |
| C20 | C19 | C26 | H36 | 60.0° | 169.1° |
| C20 | C19 | C26 | H37 | 60.0° | 70.9° |
| C22 | C23 | C18 | C19 | 63.2° | 47.6° |
| C22 | C23 | C25 | C18 | 127.7° | 126.2° |
| C22 | C23 | C25 | C24 | 112.8° | 115.0° |
| C22 | C23 | C18 | C24 | 108.3° | 116.8° |
| C22 | C23 | C18 | C17 | 162.9° | 176.4° |
| C23 | C22 | O1 | H22 | 56.9° | 180.0° |
| C23 | C22 | C21 | H24 | 64.8° | 174.2° |
| C23 | C22 | C21 | H25 | 176.2° | 68.0° |
| C22 | C23 | C24 | H28 | 180.0° | 60.0° |
| C22 | C23 | C24 | H29 | 60.0° | 180.0° |
| C22 | C23 | C24 | H30 | 60.0° | 59.9° |
| C22 | C23 | C25 | H31 | 180.0° | 57.3° |
| C22 | C23 | C25 | H32 | 60.0° | 177.4° |
| C22 | C23 | C25 | H33 | 60.0° | 62.7° |
| C22 | C23 | C18 | H34 | 49.0° | 68.7° |
| O2 | C12 | C13 | C11 | 124.9° | 119.3° |
| O2 | C12 | C13 | H14 | 115.2° | 118.9° |
| O2 | C12 | C13 | C14 | 167.9° | 177.1° |
| O2 | C12 | C11 | H14 | 120.1° | 120.8° |
| O2 | C12 | C11 | C7 | 64.5° | 64.4° |
| O2 | C12 | C11 | C10 | 170.8° | 178.9° |
| O2 | C12 | C11 | H13 | 57.2° | 57.3° |
| O2 | C12 | C13 | H15 | 47.0° | 55.2° |
| O2 | C12 | C13 | H16 | 71.2° | 63.6° |
| C12 | C13 | C14 | H15 | 120.9° | 120.6° |
| C12 | C13 | C14 | H16 | 120.9° | 118.7° |
| C13 | C12 | C11 | H14 | 119.6° | 120.7° |
| C12 | C13 | C14 | C19 | 178.2° | 170.2° |
| C12 | C13 | C14 | C15 | 46.0° | 58.8° |
| C13 | C12 | C11 | C7 | 175.1° | 177.0° |
| C13 | C12 | C11 | C10 | 50.5° | 60.3° |
| C13 | C12 | C11 | H13 | 63.1° | 61.3° |
| C12 | C13 | H15 | H16 | 117.1° | 118.1° |
| C12 | C13 | C14 | H17 | 65.4° | 57.8° |
| C13 | C12 | O2 | H40 | 180.0° | 61.8° |
| C14 | C13 | C12 | C11 | 43.0° | 57.8° |
| C13 | C14 | C19 | C26 | 57.3° | 56.1° |
| C13 | C14 | C19 | C15 | 132.1° | 129.4° |
| C13 | C14 | C19 | H17 | 112.6° | 113.3° |
| C13 | C14 | C19 | C18 | 172.8° | 178.7° |
| C13 | C14 | C15 | H17 | 111.1° | 115.3° |
| C13 | C14 | C15 | C10 | 56.0° | 59.5° |
| C13 | C14 | C15 | C16 | 175.7° | 179.6° |
| C13 | C14 | C15 | C27 | 70.3° | 59.0° |
| C14 | C13 | C12 | H14 | 76.9° | 64.0° |
| C14 | C13 | H15 | H16 | 117.1° | 120.7° |
| C | C1 | O | C2 | 133.5° | 123.2° |
| C | C1 | O | C5 | 87.3° | 85.1° |
| C | C1 | C2 | C3 | 73.1° | 76.9° |
| C | C1 | C2 | H1 | 166.1° | 162.7° |
| C | C1 | C2 | H2 | 47.8° | 43.4° |
| C1 | C | H47 | H48 | 120.0° | 119.9° |
| C1 | C | H47 | H49 | 120.0° | 120.0° |
| C1 | C | H48 | H49 | 120.0° | 120.0° |
| C | C1 | C29 | H50 | 180.0° | 60.0° |
| C | C1 | C29 | H51 | 60.0° | 60.0° |
| C | C1 | C29 | H52 | 60.0° | 180.0° |
| C12 | C11 | C10 | C28 | 67.2° | 60.3° |
| C12 | C11 | C7 | C10 | 127.1° | 121.0° |
| C12 | C11 | C7 | H13 | 121.9° | 122.7° |
| C12 | C11 | C10 | H13 | 114.0° | 120.6° |
| C12 | C11 | C7 | C5 | 68.2° | 88.3° |
| C12 | C11 | C10 | C15 | 63.0° | 63.0° |
| C12 | C11 | C7 | C8 | 166.1° | 153.9° |
| C12 | C11 | C10 | C9 | 179.5° | 174.6° |
| C12 | C11 | C7 | H8 | 54.0° | 34.2° |
| C11 | C12 | C13 | H15 | 77.9° | 64.1° |
| C11 | C12 | C13 | H16 | 163.9° | 177.1° |
| C11 | C12 | O2 | H40 | 55.0° | 180.0° |
| O | C1 | C2 | C3 | 57.7° | 47.2° |
| C1 | O | C5 | C7 | 164.9° | 157.1° |
| C1 | O | C5 | C6 | 77.4° | 85.2° |
| C1 | O | C5 | C4 | 40.9° | 38.0° |
| O | C1 | C2 | H1 | 63.1° | 73.2° |
| O | C1 | C2 | H2 | 178.6° | 167.5° |
| O | C1 | C | H47 | 65.4° | 60.1° |
| O | C1 | C | H48 | 174.5° | 180.0° |
| O | C1 | C | H49 | 54.6° | 59.9° |
| O | C1 | C29 | H50 | 60.9° | 59.9° |
| O | C1 | C29 | H51 | 59.1° | 180.0° |
| O | C1 | C29 | H52 | 179.1° | 60.0° |
| C2 | C1 | O | C5 | 46.2° | 38.1° |
| C1 | C2 | C3 | H1 | 120.8° | 120.4° |
| C1 | C2 | C3 | H2 | 120.8° | 120.3° |
| C1 | C2 | C3 | C4 | 61.9° | 59.5° |
| C1 | C2 | H1 | H2 | 117.5° | 119.6° |
| C1 | C2 | C3 | H3 | 178.6° | 178.4° |
| C1 | C2 | C3 | H4 | 57.6° | 62.0° |
| C2 | C1 | C | H47 | 62.2° | 65.0° |
| C2 | C1 | C | H48 | 57.8° | 54.9° |
| C2 | C1 | C | H49 | 177.8° | 174.9° |
| C2 | C1 | C29 | H50 | 54.9° | 177.8° |
| C2 | C1 | C29 | H51 | 174.9° | 57.7° |
| C2 | C1 | C29 | H52 | 65.0° | 62.3° |
| C26 | C19 | C14 | C18 | 129.9° | 125.2° |
| C26 | C19 | C18 | C23 | 59.8° | 65.6° |
| C26 | C19 | C14 | C15 | 74.8° | 73.3° |
| C26 | C19 | C18 | C17 | 77.4° | 64.7° |
| C26 | C19 | C14 | H17 | 170.0° | 169.3° |
| C26 | C19 | C20 | H26 | 168.6° | 177.4° |
| C26 | C19 | C20 | H27 | 50.2° | 57.3° |
| C26 | C19 | C18 | H34 | 172.0° | 177.7° |
| C19 | C26 | H35 | H36 | 120.0° | 120.0° |
| C19 | C26 | H35 | H37 | 120.0° | 120.0° |
| C19 | C26 | H36 | H37 | 120.0° | 120.0° |
| C14 | C19 | C18 | C23 | 167.1° | 170.4° |
| C19 | C14 | C15 | H17 | 115.2° | 115.2° |
| C14 | C19 | C18 | C17 | 55.7° | 59.2° |
| C19 | C14 | C15 | C10 | 170.3° | 171.0° |
| C19 | C14 | C15 | C16 | 50.6° | 50.1° |
| C19 | C14 | C15 | C27 | 63.3° | 70.5° |
| C19 | C14 | C13 | H15 | 60.9° | 69.2° |
| C19 | C14 | C13 | H16 | 57.3° | 51.6° |
| C14 | C19 | C20 | H26 | 42.0° | 57.1° |
| C14 | C19 | C20 | H27 | 76.4° | 62.9° |
| C14 | C19 | C18 | H34 | 54.9° | 53.7° |
| C14 | C19 | C26 | H35 | 63.8° | 167.4° |
| C14 | C19 | C26 | H36 | 56.2° | 72.7° |
| C14 | C19 | C26 | H37 | 176.2° | 47.3° |
| C19 | C18 | C23 | C25 | 69.9° | 77.5° |
| C19 | C18 | C23 | C17 | 133.9° | 128.9° |
| C19 | C18 | C23 | H34 | 112.2° | 116.3° |
| C19 | C18 | C23 | C24 | 171.5° | 164.3° |
| C18 | C19 | C14 | C15 | 55.1° | 51.9° |
| C19 | C18 | C17 | H34 | 110.5° | 113.0° |
| C19 | C18 | C17 | C16 | 57.5° | 65.6° |
| C18 | C19 | C14 | H17 | 60.2° | 65.5° |
| C18 | C19 | C20 | H26 | 69.7° | 59.9° |
| C18 | C19 | C20 | H27 | 171.9° | 180.0° |
| C18 | C19 | C26 | H35 | 63.1° | 70.2° |
| C18 | C19 | C26 | H36 | 176.8° | 49.8° |
| C18 | C19 | C26 | H37 | 56.8° | 169.8° |
| C19 | C18 | C17 | H38 | 62.9° | 176.9° |
| C19 | C18 | C17 | H39 | 177.9° | 55.8° |
| C25 | C23 | C18 | C24 | 118.5° | 118.1° |
| C25 | C23 | C18 | C17 | 63.9° | 51.3° |
| C25 | C23 | C22 | H23 | 167.0° | 159.4° |
| C25 | C23 | C24 | H28 | 57.0° | 177.5° |
| C25 | C23 | C24 | H29 | 63.0° | 62.4° |
| C25 | C23 | C24 | H30 | 176.9° | 57.6° |
| C23 | C25 | H31 | H32 | 120.0° | 120.1° |
| C23 | C25 | H31 | H33 | 120.0° | 119.9° |
| C23 | C25 | H32 | H33 | 120.0° | 120.0° |
| C25 | C23 | C18 | H34 | 177.9° | 166.2° |
| C23 | C18 | C17 | H34 | 113.9° | 115.3° |
| C23 | C18 | C17 | C16 | 167.0° | 162.7° |
| C18 | C23 | C22 | H23 | 59.5° | 73.9° |
| C18 | C23 | C24 | H28 | 69.4° | 60.5° |
| C18 | C23 | C24 | H29 | 170.5° | 59.5° |
| C18 | C23 | C24 | H30 | 50.5° | 179.5° |
| C18 | C23 | C25 | H31 | 52.3° | 176.5° |
| C18 | C23 | C25 | H32 | 67.7° | 56.4° |
| C18 | C23 | C25 | H33 | 172.3° | 63.6° |
| C23 | C18 | C17 | H38 | 72.6° | 45.2° |
| C23 | C18 | C17 | H39 | 46.6° | 76.0° |
| C24 | C23 | C18 | C17 | 54.6° | 66.8° |
| C24 | C23 | C22 | H23 | 52.4° | 44.0° |
| C23 | C24 | H28 | H29 | 120.0° | 120.0° |
| C23 | C24 | H28 | H30 | 120.0° | 119.9° |
| C23 | C24 | H29 | H30 | 120.0° | 120.0° |
| C24 | C23 | C25 | H31 | 67.1° | 57.6° |
| C24 | C23 | C25 | H32 | 172.8° | 62.4° |
| C24 | C23 | C25 | H33 | 52.9° | 177.6° |
| C24 | C23 | C18 | H34 | 59.4° | 48.0° |
| C14 | C15 | C10 | C28 | 59.4° | 63.0° |
| C14 | C15 | C10 | C11 | 66.2° | 60.0° |
| C14 | C15 | C10 | C16 | 119.4° | 121.2° |
| C14 | C15 | C10 | C27 | 123.5° | 121.0° |
| C14 | C15 | C16 | C27 | 117.9° | 122.9° |
| C14 | C15 | C10 | C9 | 176.0° | 172.3° |
| C14 | C15 | C16 | C17 | 47.2° | 54.1° |
| C15 | C14 | C13 | H15 | 74.9° | 61.8° |
| C15 | C14 | C13 | H16 | 166.9° | 177.4° |
| C14 | C15 | C16 | H20 | 73.5° | 65.5° |
| C14 | C15 | C16 | H21 | 167.9° | 173.7° |
| C14 | C15 | C27 | H41 | 180.0° | 68.8° |
| C14 | C15 | C27 | H42 | 60.0° | 171.2° |
| C14 | C15 | C27 | H43 | 60.0° | 51.2° |
| O | C5 | C7 | C11 | 63.2° | 67.5° |
| O | C5 | C7 | C6 | 117.0° | 120.0° |
| O | C5 | C7 | C4 | 124.3° | 122.3° |
| O | C5 | C6 | C4 | 122.7° | 125.1° |
| O | C5 | C7 | C8 | 176.2° | 177.9° |
| O | C5 | C4 | C3 | 42.1° | 47.0° |
| O | C5 | C6 | H5 | 180.0° | 169.1° |
| O | C5 | C6 | H6 | 60.0° | 71.0° |
| O | C5 | C6 | H7 | 60.0° | 49.0° |
| O | C5 | C7 | H8 | 58.9° | 55.2° |
| O | C5 | C4 | H18 | 162.6° | 73.5° |
| O | C5 | C4 | H19 | 78.4° | 167.3° |
| C2 | C3 | C4 | C5 | 51.5° | 59.4° |
| C2 | C3 | C4 | H3 | 119.5° | 118.9° |
| C2 | C3 | C4 | H4 | 119.5° | 121.4° |
| C3 | C2 | H1 | H2 | 117.4° | 119.6° |
| C2 | C3 | H3 | H4 | 121.5° | 120.7° |
| C2 | C3 | C4 | H18 | 172.0° | 61.0° |
| C2 | C3 | C4 | H19 | 69.0° | 179.7° |
| C18 | C17 | C16 | C15 | 53.1° | 62.1° |
| C18 | C17 | C16 | H38 | 120.4° | 119.1° |
| C18 | C17 | C16 | H39 | 120.4° | 122.2° |
| C18 | C17 | C16 | H20 | 67.6° | 59.1° |
| C18 | C17 | C16 | H21 | 173.8° | 178.0° |
| C18 | C17 | H38 | H39 | 118.8° | 122.8° |
| C28 | C10 | C11 | C7 | 67.6° | 65.5° |
| C28 | C10 | C11 | C15 | 130.2° | 123.3° |
| C28 | C10 | C11 | C9 | 112.2° | 114.3° |
| C28 | C10 | C15 | C9 | 124.6° | 124.8° |
| C28 | C10 | C15 | C16 | 60.0° | 58.3° |
| C28 | C10 | C15 | C27 | 177.2° | 176.1° |
| C28 | C10 | C9 | C8 | 80.9° | 71.2° |
| C28 | C10 | C9 | H11 | 159.5° | 46.0° |
| C28 | C10 | C9 | H12 | 38.6° | 170.6° |
| C28 | C10 | C11 | H13 | 178.7° | 179.2° |
| C10 | C28 | H44 | H45 | 120.0° | 120.0° |
| C10 | C28 | H44 | H46 | 120.0° | 120.0° |
| C10 | C28 | H45 | H46 | 120.0° | 120.0° |
| C7 | C11 | C10 | H13 | 111.1° | 113.7° |
| C11 | C7 | C5 | C8 | 120.6° | 114.6° |
| C11 | C7 | C5 | H8 | 122.1° | 122.8° |
| C11 | C7 | C5 | C6 | 53.8° | 52.5° |
| C11 | C7 | C5 | C4 | 172.6° | 170.2° |
| C7 | C11 | C10 | C15 | 162.2° | 171.2° |
| C11 | C7 | C8 | H8 | 112.3° | 119.6° |
| C7 | C11 | C10 | C9 | 44.6° | 48.9° |
| C11 | C7 | C8 | C9 | 17.5° | 4.7° |
| C11 | C7 | C8 | H9 | 137.0° | 124.4° |
| C11 | C7 | C8 | H10 | 102.0° | 113.6° |
| C7 | C11 | C12 | H14 | 55.6° | 56.3° |
| C10 | C11 | C7 | C5 | 164.7° | 150.7° |
| C11 | C10 | C15 | C9 | 109.8° | 112.3° |
| C11 | C10 | C15 | C16 | 174.5° | 178.8° |
| C11 | C10 | C15 | C27 | 57.3° | 61.0° |
| C10 | C11 | C7 | C8 | 39.0° | 32.9° |
| C11 | C10 | C9 | C8 | 32.9° | 45.1° |
| C10 | C11 | C7 | H8 | 73.1° | 86.8° |
| C11 | C10 | C9 | H11 | 86.7° | 162.3° |
| C11 | C10 | C9 | H12 | 152.5° | 73.1° |
| C10 | C11 | C12 | H14 | 69.1° | 60.3° |
| C11 | C10 | C28 | H44 | 180.0° | 59.3° |
| C11 | C10 | C28 | H45 | 60.0° | 179.3° |
| C11 | C10 | C28 | H46 | 60.0° | 60.7° |
| C7 | C5 | C6 | C4 | 122.8° | 116.6° |
| C5 | C7 | C8 | H8 | 117.6° | 122.3° |
| C7 | C5 | C4 | C3 | 161.5° | 166.5° |
| C5 | C7 | C8 | C9 | 147.5° | 122.8° |
| C7 | C5 | C6 | H5 | 65.5° | 50.8° |
| C7 | C5 | C6 | H6 | 174.4° | 170.7° |
| C7 | C5 | C6 | H7 | 54.5° | 69.3° |
| C5 | C7 | C8 | H9 | 93.0° | 117.5° |
| C5 | C7 | C8 | H10 | 28.0° | 4.4° |
| C5 | C7 | C11 | H13 | 53.7° | 34.4° |
| C7 | C5 | C4 | H18 | 78.0° | 46.1° |
| C7 | C5 | C4 | H19 | 41.0° | 73.2° |
| C6 | C5 | C7 | C8 | 66.8° | 62.1° |
| C6 | C5 | C4 | C3 | 77.7° | 77.1° |
| C5 | C6 | H5 | H6 | 120.0° | 120.0° |
| C5 | C6 | H5 | H7 | 120.0° | 120.0° |
| C5 | C6 | H6 | H7 | 120.0° | 120.0° |
| C6 | C5 | C7 | H8 | 175.9° | 175.2° |
| C6 | C5 | C4 | H18 | 42.9° | 162.5° |
| C6 | C5 | C4 | H19 | 161.9° | 43.3° |
| C4 | C5 | C7 | C8 | 51.9° | 55.6° |
| C5 | C4 | C3 | H18 | 120.5° | 120.4° |
| C5 | C4 | C3 | H19 | 120.5° | 120.3° |
| C5 | C4 | C3 | H3 | 171.0° | 178.3° |
| C5 | C4 | C3 | H4 | 68.0° | 62.0° |
| C4 | C5 | C6 | H5 | 57.3° | 65.9° |
| C4 | C5 | C6 | H6 | 62.7° | 54.1° |
| C4 | C5 | C6 | H7 | 177.3° | 174.1° |
| C4 | C5 | C7 | H8 | 65.3° | 67.1° |
| C5 | C4 | H18 | H19 | 118.4° | 119.5° |
| C10 | C15 | C16 | C27 | 123.8° | 117.9° |
| C10 | C15 | C16 | C17 | 165.4° | 173.3° |
| C15 | C10 | C9 | C8 | 148.7° | 162.4° |
| C15 | C10 | C9 | H11 | 29.2° | 80.4° |
| C15 | C10 | C9 | H12 | 91.7° | 44.2° |
| C15 | C10 | C11 | H13 | 51.0° | 57.5° |
| C10 | C15 | C14 | H17 | 55.1° | 55.8° |
| C10 | C15 | C16 | H20 | 44.8° | 53.7° |
| C10 | C15 | C16 | H21 | 73.8° | 67.1° |
| C10 | C15 | C27 | H41 | 57.9° | 173.0° |
| C10 | C15 | C27 | H42 | 62.1° | 52.9° |
| C10 | C15 | C27 | H43 | 177.9° | 67.0° |
| C15 | C10 | C28 | H44 | 54.3° | 178.8° |
| C15 | C10 | C28 | H45 | 65.6° | 58.8° |
| C15 | C10 | C28 | H46 | 174.4° | 61.2° |
| C16 | C15 | C10 | C9 | 64.6° | 66.5° |
| C15 | C16 | C17 | H20 | 120.7° | 121.2° |
| C15 | C16 | C17 | H21 | 120.7° | 119.9° |
| C16 | C15 | C14 | H17 | 64.6° | 65.2° |
| C15 | C16 | H20 | H21 | 117.8° | 120.8° |
| C15 | C16 | C17 | H38 | 67.3° | 178.8° |
| C15 | C16 | C17 | H39 | 173.5° | 60.1° |
| C16 | C15 | C27 | H41 | 62.6° | 53.5° |
| C16 | C15 | C27 | H42 | 177.4° | 66.5° |
| C16 | C15 | C27 | H43 | 57.4° | 173.5° |
| C27 | C15 | C10 | C9 | 52.5° | 51.3° |
| C27 | C15 | C16 | C17 | 70.8° | 68.8° |
| C27 | C15 | C14 | H17 | 178.5° | 174.3° |
| C27 | C15 | C16 | H20 | 168.6° | 171.6° |
| C27 | C15 | C16 | H21 | 50.0° | 50.8° |
| C15 | C27 | H41 | H42 | 120.0° | 120.0° |
| C15 | C27 | H41 | H43 | 120.0° | 120.0° |
| C15 | C27 | H42 | H43 | 120.0° | 120.0° |
| C7 | C8 | C9 | C10 | 10.0° | 25.3° |
| C7 | C8 | C9 | H9 | 119.5° | 119.8° |
| C7 | C8 | C9 | H10 | 119.5° | 118.6° |
| C7 | C8 | H9 | H10 | 121.4° | 121.7° |
| C7 | C8 | C9 | H11 | 109.6° | 142.3° |
| C7 | C8 | C9 | H12 | 129.5° | 94.5° |
| C8 | C7 | C11 | H13 | 72.0° | 83.5° |
| C10 | C9 | C8 | H11 | 119.6° | 117.0° |
| C10 | C9 | C8 | H12 | 119.6° | 119.8° |
| C10 | C9 | C8 | H9 | 109.5° | 94.5° |
| C10 | C9 | C8 | H10 | 129.5° | 143.8° |
| C10 | C9 | H11 | H12 | 121.3° | 125.4° |
| C9 | C10 | C11 | H13 | 66.5° | 64.8° |
| C9 | C10 | C28 | H44 | 72.6° | 49.9° |
| C9 | C10 | C28 | H45 | 167.4° | 70.1° |
| C9 | C10 | C28 | H46 | 47.4° | 169.9° |
| C4 | C3 | C2 | H1 | 58.9° | 60.9° |
| C4 | C3 | C2 | H2 | 177.3° | 179.8° |
| C4 | C3 | H3 | H4 | 121.5° | 120.8° |
| C3 | C4 | H18 | H19 | 118.4° | 119.6° |
| C17 | C16 | H20 | H21 | 117.9° | 118.5° |
| C16 | C17 | C18 | H34 | 53.1° | 47.4° |
| C16 | C17 | H38 | H39 | 118.8° | 119.8° |
| C9 | C8 | C7 | H8 | 94.8° | 114.9° |
| C9 | C8 | H9 | H10 | 121.4° | 121.2° |
| C8 | C9 | H11 | H12 | 121.3° | 122.7° |
| H1 | C2 | C3 | H3 | 60.6° | 58.0° |
| H1 | C2 | C3 | H4 | 178.4° | 177.7° |
| H2 | C2 | C3 | H3 | 57.8° | 61.3° |
| H2 | C2 | C3 | H4 | 63.2° | 58.3° |
| H3 | C3 | C4 | H18 | 68.5° | 57.9° |
| H3 | C3 | C4 | H19 | 50.5° | 61.4° |
| H4 | C3 | C4 | H18 | 52.6° | 177.6° |
| H4 | C3 | C4 | H19 | 171.5° | 58.3° |
| H5 | C6 | H6 | H7 | 120.0° | 120.1° |
| H8 | C7 | C8 | H9 | 24.7° | 4.8° |
| H8 | C7 | C8 | H10 | 145.7° | 126.8° |
| H8 | C7 | C11 | H13 | 175.9° | 156.9° |
| H9 | C8 | C9 | H11 | 130.9° | 22.5° |
| H9 | C8 | C9 | H12 | 10.0° | 145.7° |
| H10 | C8 | C9 | H11 | 9.9° | 99.1° |
| H10 | C8 | C9 | H12 | 110.9° | 24.1° |
| H13 | C11 | C12 | H14 | 177.3° | 178.0° |
| H14 | C12 | C13 | H15 | 162.2° | 174.1° |
| H14 | C12 | C13 | H16 | 44.0° | 55.3° |
| H14 | C12 | O2 | H40 | 65.1° | 57.7° |
| H15 | C13 | C14 | H17 | 173.7° | 178.5° |
| H16 | C13 | C14 | H17 | 55.5° | 60.8° |
| H20 | C16 | C17 | H38 | 172.0° | 60.0° |
| H20 | C16 | C17 | H39 | 52.8° | 178.7° |
| H21 | C16 | C17 | H38 | 53.4° | 58.9° |
| H21 | C16 | C17 | H39 | 65.8° | 59.8° |
| H22 | O1 | C22 | H23 | 62.7° | 61.9° |
| H23 | C22 | C21 | H24 | 177.4° | 53.4° |
| H23 | C22 | C21 | H25 | 58.4° | 171.2° |
| H24 | C21 | C20 | H26 | 171.5° | 62.1° |
| H24 | C21 | C20 | H27 | 53.0° | 58.9° |
| H25 | C21 | C20 | H26 | 52.5° | 179.9° |
| H25 | C21 | C20 | H27 | 66.0° | 59.1° |
| H28 | C24 | H29 | H30 | 120.0° | 120.1° |
| H31 | C25 | H32 | H33 | 120.0° | 120.0° |
| H34 | C18 | C17 | H38 | 173.5° | 70.1° |
| H34 | C18 | C17 | H39 | 67.3° | 168.8° |
| H35 | C26 | H36 | H37 | 120.0° | 120.0° |
| H41 | C27 | H42 | H43 | 120.0° | 120.0° |
| H44 | C28 | H45 | H46 | 120.0° | 120.0° |
| H47 | C | H48 | H49 | 120.0° | 120.0° |
| H50 | C29 | H51 | H52 | 119.9° | 120.0° |
