2UI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C27 | O2 | sing | 1.43Å | 1.44Å | |
| C26 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.54Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.51Å | 1.54Å | |
| C19 | C21 | sing | 1.53Å | 1.56Å | |
| C19 | C14 | sing | 1.53Å | 1.55Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | C11 | sing | 1.54Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| O1 | C6 | sing | 1.43Å | 1.42Å | |
| C4 | O | sing | 1.43Å | 1.43Å | |
| C24 | C7 | sing | 1.52Å | 1.55Å | |
| C24 | C10 | sing | 1.55Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C7 | C1 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | sing | 1.55Å | 1.54Å | |
| C11 | C10 | sing | 1.52Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.55Å | 1.55Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| O | H18 | sing | 0.97Å | 0.95Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | 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 | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C28 | H47 | sing | 1.09Å | 1.10Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| O2 | H52 | sing | 0.97Å | 0.95Å | |
| C3 | H53 | sing | 1.09Å | 1.10Å | |
| C2 | H54 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C27 | C28 | 110.9° | 109.5° |
| C29 | C27 | C26 | 112.0° | 109.5° |
| C29 | C27 | O2 | 108.5° | 109.5° |
| C27 | C29 | H49 | 109.5° | 109.4° |
| C27 | C29 | H50 | 109.5° | 109.5° |
| C27 | C29 | H51 | 109.4° | 109.4° |
| C28 | C27 | C26 | 110.3° | 109.5° |
| C28 | C27 | O2 | 107.9° | 109.5° |
| C27 | C28 | H46 | 109.5° | 109.5° |
| C27 | C28 | H47 | 109.4° | 109.5° |
| C27 | C28 | H48 | 109.4° | 109.5° |
| C26 | C27 | O2 | 107.1° | 109.4° |
| C27 | C26 | C16 | 114.4° | 109.5° |
| C27 | C26 | H44 | 108.2° | 109.5° |
| C27 | C26 | H45 | 108.3° | 109.4° |
| C27 | O2 | H52 | 109.5° | 114.0° |
| C26 | C16 | C17 | 111.1° | 109.4° |
| C26 | C16 | C15 | 112.6° | 109.5° |
| C26 | C16 | H28 | 107.7° | 109.5° |
| C16 | C26 | H44 | 108.2° | 109.5° |
| C16 | C26 | H45 | 108.2° | 109.5° |
| C16 | C17 | C18 | 110.2° | 109.5° |
| C17 | C16 | C15 | 109.7° | 109.5° |
| C17 | C16 | H28 | 107.8° | 109.4° |
| C16 | C17 | H29 | 109.3° | 109.5° |
| C16 | C17 | H30 | 109.3° | 109.5° |
| C17 | C18 | C19 | 112.8° | 109.5° |
| C18 | C17 | H29 | 109.3° | 109.5° |
| C18 | C17 | H30 | 109.3° | 109.5° |
| C17 | C18 | H31 | 108.7° | 109.5° |
| C17 | C18 | H32 | 108.6° | 109.5° |
| C16 | C15 | C14 | 110.3° | 109.5° |
| C16 | C15 | H26 | 109.3° | 109.5° |
| C16 | C15 | H27 | 109.3° | 109.4° |
| C15 | C16 | H28 | 107.8° | 109.5° |
| C18 | C19 | C21 | 111.2° | 109.4° |
| C18 | C19 | C14 | 108.8° | 109.4° |
| C18 | C19 | C20 | 107.9° | 109.5° |
| C19 | C18 | H31 | 108.6° | 109.5° |
| C19 | C18 | H32 | 108.6° | 109.5° |
| C15 | C14 | C19 | 113.0° | 109.4° |
| C15 | C14 | C13 | 111.8° | 109.4° |
| C15 | C14 | H25 | 107.0° | 109.5° |
| C14 | C15 | H26 | 109.3° | 109.5° |
| C14 | C15 | H27 | 109.3° | 109.4° |
| C23 | C22 | C21 | 112.8° | 111.3° |
| C22 | C23 | C24 | 112.4° | 108.0° |
| C23 | C22 | H37 | 108.6° | 109.1° |
| C23 | C22 | H38 | 108.6° | 109.1° |
| C22 | C23 | H39 | 108.7° | 109.9° |
| C22 | C23 | H40 | 108.7° | 109.9° |
| C22 | C21 | C19 | 114.0° | 110.0° |
| C22 | C21 | C11 | 111.6° | 111.6° |
| C22 | C21 | H36 | 106.0° | 108.3° |
| C21 | C22 | H37 | 108.6° | 109.4° |
| C21 | C22 | H38 | 108.6° | 108.7° |
| C23 | C24 | C7 | 117.8° | 117.3° |
| C23 | C24 | C10 | 106.4° | 107.6° |
| C23 | C24 | C25 | 110.1° | 109.7° |
| C24 | C23 | H39 | 108.8° | 109.2° |
| C24 | C23 | H40 | 108.7° | 109.9° |
| C21 | C19 | C14 | 108.3° | 109.3° |
| C21 | C19 | C20 | 110.8° | 109.5° |
| C19 | C21 | C11 | 112.7° | 109.1° |
| C19 | C21 | H36 | 105.8° | 108.8° |
| C14 | C19 | C20 | 109.8° | 109.6° |
| C19 | C14 | C13 | 110.8° | 109.5° |
| C19 | C14 | H25 | 106.8° | 109.5° |
| C19 | C20 | H33 | 109.5° | 109.5° |
| C19 | C20 | H34 | 109.5° | 109.4° |
| C19 | C20 | H35 | 109.5° | 109.5° |
| C21 | C11 | C10 | 108.7° | 107.3° |
| C21 | C11 | C12 | 110.5° | 109.1° |
| C21 | C11 | H20 | 108.7° | 110.6° |
| C11 | C21 | H36 | 106.1° | 108.9° |
| C14 | C13 | C12 | 110.6° | 109.5° |
| C14 | C13 | H23 | 109.2° | 109.5° |
| C14 | C13 | H24 | 109.2° | 109.4° |
| C13 | C14 | H25 | 107.1° | 109.5° |
| C | C1 | C7 | 113.8° | 109.5° |
| C | C1 | C2 | 110.9° | 109.5° |
| C | C1 | H7 | 106.8° | 109.4° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C | H16 | 109.5° | 109.4° |
| C1 | C | H17 | 109.5° | 109.5° |
| C4 | C5 | C6 | 112.4° | 109.5° |
| C5 | C4 | C3 | 114.0° | 109.5° |
| C5 | C4 | O | 106.7° | 109.5° |
| C4 | C5 | H8 | 108.7° | 109.5° |
| C4 | C5 | H9 | 108.7° | 109.5° |
| C5 | C4 | H12 | 107.8° | 109.5° |
| C5 | C6 | O1 | 111.4° | 109.5° |
| C6 | C5 | H8 | 108.8° | 109.5° |
| C6 | C5 | H9 | 108.7° | 109.5° |
| C5 | C6 | H10 | 109.0° | 109.5° |
| C5 | C6 | H11 | 109.0° | 109.4° |
| C4 | C3 | C2 | 115.4° | 109.4° |
| C3 | C4 | O | 111.6° | 109.5° |
| C3 | C4 | H12 | 107.7° | 109.5° |
| C4 | C3 | H13 | 108.0° | 109.5° |
| C4 | C3 | H53 | 108.0° | 109.4° |
| C3 | C2 | C1 | 117.0° | 109.5° |
| C2 | C3 | H13 | 108.0° | 109.5° |
| C3 | C2 | H14 | 107.6° | 109.4° |
| C2 | C3 | H53 | 108.0° | 109.5° |
| C3 | C2 | H54 | 107.6° | 109.5° |
| C6 | O1 | H6 | 109.5° | 114.0° |
| O1 | C6 | H10 | 109.0° | 109.5° |
| O1 | C6 | H11 | 109.0° | 109.5° |
| O | C4 | H12 | 109.0° | 109.5° |
| C4 | O | H18 | 109.5° | 114.0° |
| C7 | C24 | C10 | 99.6° | 103.3° |
| C7 | C24 | C25 | 111.1° | 109.8° |
| C24 | C7 | C1 | 119.8° | 110.3° |
| C24 | C7 | C8 | 103.7° | 105.3° |
| C24 | C7 | H1 | 107.1° | 110.4° |
| C10 | C24 | C25 | 111.3° | 108.6° |
| C24 | C10 | C11 | 114.4° | 107.7° |
| C24 | C10 | C9 | 103.8° | 101.6° |
| C24 | C10 | H19 | 105.9° | 110.5° |
| C24 | C25 | H41 | 109.5° | 109.5° |
| C24 | C25 | H42 | 109.5° | 109.5° |
| C24 | C25 | H43 | 109.5° | 109.4° |
| C1 | C7 | C8 | 111.1° | 110.3° |
| C7 | C1 | C2 | 111.6° | 109.5° |
| C1 | C7 | H1 | 107.2° | 110.2° |
| C7 | C1 | H7 | 106.6° | 109.5° |
| C7 | C8 | C9 | 106.3° | 106.4° |
| C8 | C7 | H1 | 107.2° | 110.3° |
| C7 | C8 | H2 | 110.2° | 110.1° |
| C7 | C8 | H3 | 110.3° | 110.1° |
| C10 | C11 | C12 | 111.3° | 110.4° |
| C11 | C10 | C9 | 119.5° | 115.9° |
| C11 | C10 | H19 | 106.1° | 110.4° |
| C10 | C11 | H20 | 108.8° | 109.8° |
| C11 | C12 | C13 | 112.5° | 109.5° |
| C12 | C11 | H20 | 108.7° | 109.7° |
| C11 | C12 | H21 | 108.7° | 109.5° |
| C11 | C12 | H22 | 108.7° | 109.5° |
| C10 | C9 | C8 | 104.6° | 103.0° |
| C10 | C9 | H4 | 110.7° | 110.7° |
| C10 | C9 | H5 | 110.7° | 110.8° |
| C9 | C10 | H19 | 106.1° | 110.4° |
| C2 | C1 | H7 | 106.6° | 109.5° |
| C1 | C2 | H14 | 107.6° | 109.5° |
| C1 | C2 | H54 | 107.5° | 109.5° |
| C13 | C12 | H21 | 108.7° | 109.5° |
| C13 | C12 | H22 | 108.7° | 109.5° |
| C12 | C13 | H23 | 109.2° | 109.4° |
| C12 | C13 | H24 | 109.2° | 109.4° |
| C9 | C8 | H2 | 110.3° | 110.1° |
| C9 | C8 | H3 | 110.3° | 110.0° |
| C8 | C9 | H4 | 110.7° | 110.7° |
| C8 | C9 | H5 | 110.7° | 110.8° |
| H2 | C8 | H3 | 109.5° | 110.1° |
| H4 | C9 | H5 | 109.5° | 110.6° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.4° | 109.5° |
| H13 | C3 | H53 | 109.5° | 109.5° |
| H14 | C2 | H54 | 109.5° | 109.5° |
| H15 | C | H16 | 109.5° | 109.4° |
| H15 | C | H17 | 109.4° | 109.5° |
| H16 | C | H17 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H23 | C13 | H24 | 109.5° | 109.5° |
| H26 | C15 | H27 | 109.5° | 109.5° |
| H29 | C17 | H30 | 109.5° | 109.5° |
| H31 | C18 | H32 | 109.4° | 109.5° |
| H33 | C20 | H34 | 109.4° | 109.4° |
| H33 | C20 | H35 | 109.5° | 109.5° |
| H34 | C20 | H35 | 109.5° | 109.4° |
| H37 | C22 | H38 | 109.5° | 109.0° |
| H39 | C23 | H40 | 109.5° | 109.9° |
| H41 | C25 | H42 | 109.5° | 109.5° |
| H41 | C25 | H43 | 109.5° | 109.5° |
| H42 | C25 | H43 | 109.4° | 109.5° |
| H44 | C26 | H45 | 109.4° | 109.5° |
| H46 | C28 | H47 | 109.5° | 109.4° |
| H46 | C28 | H48 | 109.5° | 109.5° |
| H47 | C28 | H48 | 109.5° | 109.4° |
| H49 | C29 | H50 | 109.4° | 109.5° |
| H49 | C29 | H51 | 109.5° | 109.5° |
| H50 | C29 | H51 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C27 | C28 | C26 | 124.7° | 120.0° |
| C29 | C27 | C28 | O2 | 118.7° | 120.0° |
| C29 | C27 | C26 | O2 | 118.8° | 120.0° |
| C29 | C27 | C26 | C16 | 165.3° | 53.9° |
| C29 | C27 | C26 | H44 | 44.6° | 173.9° |
| C29 | C27 | C26 | H45 | 73.9° | 66.1° |
| C29 | C27 | C28 | H46 | 180.0° | 60.0° |
| C29 | C27 | C28 | H47 | 60.0° | 60.0° |
| C29 | C27 | C28 | H48 | 60.0° | 180.0° |
| C27 | C29 | H49 | H50 | 120.0° | 120.0° |
| C27 | C29 | H49 | H51 | 120.0° | 120.0° |
| C27 | C29 | H50 | H51 | 120.0° | 120.0° |
| C29 | C27 | O2 | H52 | 180.0° | 180.0° |
| C28 | C27 | C26 | O2 | 117.1° | 120.0° |
| C28 | C27 | C26 | C16 | 70.6° | 173.9° |
| C28 | C27 | C26 | H44 | 168.6° | 66.0° |
| C28 | C27 | C26 | H45 | 50.1° | 54.0° |
| C27 | C28 | H46 | H47 | 120.0° | 120.0° |
| C27 | C28 | H46 | H48 | 120.0° | 120.1° |
| C27 | C28 | H47 | H48 | 120.0° | 120.0° |
| C28 | C27 | C29 | H49 | 180.0° | 180.0° |
| C28 | C27 | C29 | H50 | 60.0° | 60.0° |
| C28 | C27 | C29 | H51 | 60.0° | 60.0° |
| C28 | C27 | O2 | H52 | 59.8° | 60.0° |
| C27 | C26 | C16 | H44 | 120.7° | 120.0° |
| C27 | C26 | C16 | H45 | 120.7° | 119.9° |
| C27 | C26 | C16 | C17 | 117.8° | 66.8° |
| C27 | C26 | C16 | C15 | 118.6° | 173.2° |
| C27 | C26 | C16 | H28 | 0.0° | 53.1° |
| C27 | C26 | H44 | H45 | 117.8° | 120.0° |
| C26 | C27 | C28 | H46 | 55.3° | 60.0° |
| C26 | C27 | C28 | H47 | 64.7° | 180.0° |
| C26 | C27 | C28 | H48 | 175.3° | 60.0° |
| C26 | C27 | C29 | H49 | 56.3° | 60.0° |
| C26 | C27 | C29 | H50 | 176.3° | 180.0° |
| C26 | C27 | C29 | H51 | 63.7° | 60.0° |
| C26 | C27 | O2 | H52 | 58.9° | 60.0° |
| O2 | C27 | C26 | C16 | 46.5° | 66.1° |
| O2 | C27 | C26 | H44 | 74.2° | 54.0° |
| O2 | C27 | C26 | H45 | 167.2° | 174.0° |
| O2 | C27 | C28 | H46 | 61.3° | 180.0° |
| O2 | C27 | C28 | H47 | 178.7° | 60.0° |
| O2 | C27 | C28 | H48 | 58.7° | 59.9° |
| O2 | C27 | C29 | H49 | 61.6° | 60.0° |
| O2 | C27 | C29 | H50 | 58.3° | 60.0° |
| O2 | C27 | C29 | H51 | 178.4° | 180.0° |
| C26 | C16 | C17 | C15 | 125.2° | 120.0° |
| C26 | C16 | C17 | H28 | 117.7° | 120.0° |
| C26 | C16 | C17 | C18 | 175.4° | 179.9° |
| C26 | C16 | C15 | H28 | 118.6° | 120.1° |
| C26 | C16 | C15 | C14 | 177.1° | 179.9° |
| C26 | C16 | C15 | H26 | 57.0° | 59.9° |
| C26 | C16 | C15 | H27 | 62.8° | 60.1° |
| C26 | C16 | C17 | H29 | 64.6° | 60.0° |
| C26 | C16 | C17 | H30 | 55.3° | 60.1° |
| C16 | C26 | H44 | H45 | 117.7° | 120.0° |
| C16 | C17 | C18 | H29 | 120.1° | 120.0° |
| C16 | C17 | C18 | H30 | 120.1° | 120.0° |
| C17 | C16 | C15 | H28 | 117.1° | 120.0° |
| C16 | C17 | C18 | C19 | 58.3° | 60.0° |
| C17 | C16 | C15 | C14 | 58.6° | 60.0° |
| C17 | C16 | C15 | H26 | 178.7° | 60.0° |
| C17 | C16 | C15 | H27 | 61.5° | 179.9° |
| C16 | C17 | H29 | H30 | 119.7° | 120.0° |
| C16 | C17 | C18 | H31 | 178.8° | 180.0° |
| C16 | C17 | C18 | H32 | 62.2° | 60.0° |
| C17 | C16 | C26 | H44 | 121.4° | 53.2° |
| C17 | C16 | C26 | H45 | 2.9° | 173.3° |
| C18 | C17 | C16 | C15 | 59.4° | 60.0° |
| C17 | C18 | C19 | H31 | 120.5° | 120.0° |
| C17 | C18 | C19 | H32 | 120.5° | 120.0° |
| C17 | C18 | C19 | C21 | 65.5° | 59.7° |
| C17 | C18 | C19 | C14 | 53.7° | 60.1° |
| C17 | C18 | C19 | C20 | 172.7° | 179.7° |
| C18 | C17 | C16 | H28 | 57.6° | 60.1° |
| C18 | C17 | H29 | H30 | 119.7° | 120.0° |
| C17 | C18 | H31 | H32 | 118.5° | 120.0° |
| C16 | C15 | C14 | H26 | 120.1° | 120.1° |
| C16 | C15 | C14 | H27 | 120.1° | 119.9° |
| C16 | C15 | C14 | C19 | 56.5° | 60.1° |
| C16 | C15 | C14 | C13 | 177.7° | 179.9° |
| C16 | C15 | C14 | H25 | 60.8° | 59.9° |
| C16 | C15 | H26 | H27 | 119.6° | 120.0° |
| C15 | C16 | C17 | H29 | 60.6° | 60.0° |
| C15 | C16 | C17 | H30 | 179.5° | 180.0° |
| C15 | C16 | C26 | H44 | 2.1° | 66.7° |
| C15 | C16 | C26 | H45 | 120.6° | 53.3° |
| C18 | C19 | C14 | C15 | 52.9° | 60.1° |
| C18 | C19 | C21 | C22 | 55.5° | 56.7° |
| C18 | C19 | C21 | C14 | 119.5° | 119.8° |
| C18 | C19 | C21 | C20 | 120.1° | 120.0° |
| C18 | C19 | C14 | C20 | 117.9° | 120.0° |
| C18 | C19 | C21 | C11 | 176.0° | 179.5° |
| C18 | C19 | C14 | C13 | 179.2° | 179.9° |
| C18 | C19 | C14 | H25 | 64.5° | 59.9° |
| C19 | C18 | C17 | H29 | 61.8° | 59.9° |
| C19 | C18 | C17 | H30 | 178.4° | 180.0° |
| C19 | C18 | H31 | H32 | 118.5° | 120.0° |
| C18 | C19 | C20 | H33 | 180.0° | 60.0° |
| C18 | C19 | C20 | H34 | 60.0° | 180.0° |
| C18 | C19 | C20 | H35 | 60.0° | 60.1° |
| C18 | C19 | C21 | H36 | 60.6° | 61.8° |
| C15 | C14 | C19 | C21 | 68.1° | 59.8° |
| C15 | C14 | C19 | C13 | 126.3° | 120.0° |
| C15 | C14 | C19 | H25 | 117.4° | 120.0° |
| C15 | C14 | C19 | C20 | 170.8° | 179.9° |
| C15 | C14 | C13 | H25 | 116.9° | 120.0° |
| C15 | C14 | C13 | C12 | 68.1° | 60.2° |
| C15 | C14 | C13 | H23 | 171.7° | 59.9° |
| C15 | C14 | C13 | H24 | 52.1° | 179.9° |
| C14 | C15 | H26 | H27 | 119.7° | 120.0° |
| C14 | C15 | C16 | H28 | 58.5° | 60.0° |
| C23 | C22 | C21 | H37 | 120.5° | 120.7° |
| C23 | C22 | C21 | H38 | 120.5° | 120.3° |
| C22 | C23 | C24 | H39 | 120.4° | 119.5° |
| C22 | C23 | C24 | H40 | 120.4° | 119.9° |
| C23 | C22 | C21 | C19 | 177.8° | 176.1° |
| C23 | C22 | C21 | C11 | 53.1° | 54.8° |
| C22 | C23 | C24 | C7 | 165.6° | 179.0° |
| C22 | C23 | C24 | C10 | 55.1° | 63.2° |
| C22 | C23 | C24 | C25 | 65.6° | 54.7° |
| C23 | C22 | C21 | H36 | 61.9° | 65.1° |
| C23 | C22 | H37 | H38 | 118.5° | 119.1° |
| C22 | C23 | H39 | H40 | 118.6° | 121.0° |
| C21 | C22 | C23 | C24 | 54.8° | 57.0° |
| C22 | C21 | C19 | C11 | 128.5° | 122.8° |
| C22 | C21 | C19 | H36 | 116.0° | 118.5° |
| C22 | C21 | C19 | C14 | 175.0° | 176.6° |
| C22 | C21 | C19 | C20 | 64.6° | 63.3° |
| C22 | C21 | C11 | H36 | 115.0° | 119.6° |
| C22 | C21 | C11 | C10 | 53.5° | 57.9° |
| C22 | C21 | C11 | C12 | 176.0° | 177.4° |
| C22 | C21 | C11 | H20 | 64.7° | 61.8° |
| C21 | C22 | H37 | H38 | 118.4° | 118.8° |
| C21 | C22 | C23 | H39 | 65.7° | 62.1° |
| C21 | C22 | C23 | H40 | 175.2° | 176.9° |
| C23 | C24 | C7 | C10 | 114.4° | 118.2° |
| C23 | C24 | C7 | C25 | 128.3° | 126.2° |
| C23 | C24 | C10 | C25 | 119.9° | 118.7° |
| C23 | C24 | C7 | C1 | 78.8° | 93.7° |
| C23 | C24 | C7 | C8 | 156.6° | 147.4° |
| C23 | C24 | C10 | C11 | 59.2° | 68.6° |
| C23 | C24 | C10 | C9 | 168.8° | 169.1° |
| C23 | C24 | C7 | H1 | 43.4° | 28.4° |
| C23 | C24 | C10 | H19 | 57.3° | 51.9° |
| C24 | C23 | C22 | H37 | 65.7° | 177.9° |
| C24 | C23 | C22 | H38 | 175.3° | 63.0° |
| C24 | C23 | H39 | H40 | 118.7° | 120.7° |
| C23 | C24 | C25 | H41 | 180.0° | 56.8° |
| C23 | C24 | C25 | H42 | 60.0° | 176.8° |
| C23 | C24 | C25 | H43 | 60.0° | 63.2° |
| C21 | C19 | C14 | C20 | 121.1° | 120.1° |
| C19 | C21 | C11 | H36 | 115.3° | 118.7° |
| C21 | C19 | C14 | C13 | 58.2° | 60.2° |
| C19 | C21 | C11 | C10 | 176.7° | 179.7° |
| C19 | C21 | C11 | C12 | 54.3° | 60.8° |
| C19 | C21 | C11 | H20 | 65.0° | 60.0° |
| C21 | C19 | C14 | H25 | 174.5° | 179.7° |
| C21 | C19 | C18 | H31 | 55.0° | 60.3° |
| C21 | C19 | C18 | H32 | 174.0° | 179.7° |
| C21 | C19 | C20 | H33 | 58.0° | 180.0° |
| C21 | C19 | C20 | H34 | 62.0° | 60.0° |
| C21 | C19 | C20 | H35 | 178.0° | 59.9° |
| C19 | C21 | C22 | H37 | 61.7° | 63.2° |
| C19 | C21 | C22 | H38 | 57.3° | 55.8° |
| C14 | C19 | C21 | C11 | 56.5° | 60.7° |
| C19 | C14 | C13 | H25 | 116.2° | 120.0° |
| C19 | C14 | C13 | C12 | 58.9° | 59.8° |
| C19 | C14 | C13 | H23 | 61.3° | 179.8° |
| C19 | C14 | C13 | H24 | 179.0° | 60.2° |
| C19 | C14 | C15 | H26 | 176.6° | 60.0° |
| C19 | C14 | C15 | H27 | 63.6° | 180.0° |
| C14 | C19 | C18 | H31 | 174.2° | 179.9° |
| C14 | C19 | C18 | H32 | 66.8° | 59.9° |
| C14 | C19 | C20 | H33 | 61.6° | 60.0° |
| C14 | C19 | C20 | H34 | 178.4° | 60.0° |
| C14 | C19 | C20 | H35 | 58.4° | 179.9° |
| C14 | C19 | C21 | H36 | 58.9° | 58.0° |
| C20 | C19 | C21 | C11 | 63.9° | 59.5° |
| C20 | C19 | C14 | C13 | 62.9° | 59.9° |
| C20 | C19 | C14 | H25 | 53.4° | 60.1° |
| C20 | C19 | C18 | H31 | 66.7° | 59.7° |
| C20 | C19 | C18 | H32 | 52.2° | 60.2° |
| C19 | C20 | H33 | H34 | 120.0° | 120.0° |
| C19 | C20 | H33 | H35 | 120.0° | 120.1° |
| C19 | C20 | H34 | H35 | 120.0° | 120.0° |
| C20 | C19 | C21 | H36 | 179.4° | 178.2° |
| C21 | C11 | C10 | C24 | 59.2° | 64.0° |
| C21 | C11 | C10 | C12 | 122.0° | 118.8° |
| C21 | C11 | C10 | H20 | 118.2° | 120.2° |
| C21 | C11 | C12 | H20 | 119.3° | 121.3° |
| C21 | C11 | C10 | C9 | 176.8° | 176.9° |
| C21 | C11 | C12 | C13 | 53.5° | 60.4° |
| C21 | C11 | C10 | H19 | 57.1° | 56.7° |
| C21 | C11 | C12 | H21 | 67.0° | 59.5° |
| C21 | C11 | C12 | H22 | 173.9° | 179.6° |
| C11 | C21 | C22 | H37 | 67.4° | 175.5° |
| C11 | C21 | C22 | H38 | 173.6° | 65.5° |
| C14 | C13 | C12 | C11 | 56.2° | 60.0° |
| C14 | C13 | C12 | H23 | 120.2° | 120.1° |
| C14 | C13 | C12 | H24 | 120.2° | 120.0° |
| C14 | C13 | C12 | H21 | 64.2° | 60.0° |
| C14 | C13 | C12 | H22 | 176.7° | 180.0° |
| C14 | C13 | H23 | H24 | 119.5° | 120.0° |
| C13 | C14 | C15 | H26 | 57.6° | 60.0° |
| C13 | C14 | C15 | H27 | 62.1° | 60.0° |
| C | C1 | C2 | C3 | 35.9° | 65.0° |
| C | C1 | C7 | C24 | 63.3° | 62.6° |
| C | C1 | C7 | C2 | 126.5° | 120.0° |
| C | C1 | C7 | H7 | 117.5° | 119.9° |
| C | C1 | C7 | C8 | 175.8° | 178.5° |
| C | C1 | C2 | H7 | 116.0° | 119.9° |
| C | C1 | C7 | H1 | 58.9° | 59.5° |
| C | C1 | C2 | H14 | 157.0° | 175.0° |
| C1 | C | H15 | H16 | 120.0° | 119.9° |
| C1 | C | H15 | H17 | 120.0° | 120.1° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C | C1 | C2 | H54 | 85.2° | 55.0° |
| C4 | C5 | C6 | H8 | 120.4° | 120.0° |
| C4 | C5 | C6 | H9 | 120.4° | 120.0° |
| C5 | C4 | C3 | O | 120.9° | 120.0° |
| C5 | C4 | C3 | H12 | 119.6° | 120.0° |
| C5 | C4 | C3 | C2 | 118.9° | 175.0° |
| C4 | C5 | C6 | O1 | 168.4° | 180.0° |
| C5 | C4 | O | H12 | 116.1° | 120.0° |
| C4 | C5 | H8 | H9 | 118.6° | 120.0° |
| C4 | C5 | C6 | H10 | 48.1° | 60.0° |
| C4 | C5 | C6 | H11 | 71.3° | 60.0° |
| C5 | C4 | C3 | H13 | 120.2° | 55.0° |
| C5 | C4 | O | H18 | 180.0° | 60.0° |
| C5 | C4 | C3 | H53 | 2.0° | 65.0° |
| C6 | C5 | C4 | C3 | 64.0° | 175.0° |
| C5 | C6 | O1 | H10 | 120.3° | 120.0° |
| C5 | C6 | O1 | H11 | 120.3° | 120.0° |
| C6 | C5 | C4 | O | 59.6° | 65.0° |
| C5 | C6 | O1 | H6 | 180.0° | 180.0° |
| C6 | C5 | H8 | H9 | 118.7° | 120.0° |
| C5 | C6 | H10 | H11 | 119.1° | 119.9° |
| C6 | C5 | C4 | H12 | 176.5° | 55.0° |
| C4 | C3 | C2 | H13 | 120.9° | 120.0° |
| C4 | C3 | C2 | H53 | 120.9° | 119.9° |
| C3 | C4 | O | H12 | 118.8° | 120.0° |
| C4 | C3 | C2 | C1 | 174.1° | 180.0° |
| C3 | C4 | C5 | H8 | 56.5° | 55.0° |
| C3 | C4 | C5 | H9 | 175.5° | 65.0° |
| C4 | C3 | H13 | H53 | 117.3° | 120.0° |
| C4 | C3 | C2 | H14 | 64.8° | 60.0° |
| C3 | C4 | O | H18 | 54.9° | 60.0° |
| C4 | C3 | C2 | H54 | 53.0° | 60.0° |
| C2 | C3 | C4 | O | 2.0° | 65.0° |
| C3 | C2 | C1 | C7 | 92.2° | 175.0° |
| C3 | C2 | C1 | H14 | 121.1° | 119.9° |
| C3 | C2 | C1 | H54 | 121.1° | 120.0° |
| C3 | C2 | C1 | H7 | 151.8° | 54.9° |
| C2 | C3 | C4 | H12 | 121.6° | 55.0° |
| C2 | C3 | H13 | H53 | 117.3° | 120.0° |
| C3 | C2 | H14 | H54 | 116.6° | 120.0° |
| O1 | C6 | C5 | H8 | 71.2° | 60.0° |
| O1 | C6 | C5 | H9 | 47.9° | 60.0° |
| O1 | C6 | H10 | H11 | 119.1° | 120.0° |
| O | C4 | C5 | H8 | 179.9° | 175.0° |
| O | C4 | C5 | H9 | 60.9° | 55.0° |
| O | C4 | C3 | H13 | 118.9° | 175.0° |
| O | C4 | C3 | H53 | 122.9° | 55.0° |
| C7 | C24 | C10 | C25 | 117.2° | 116.6° |
| C24 | C7 | C1 | C8 | 121.0° | 115.9° |
| C24 | C7 | C1 | H1 | 122.1° | 122.1° |
| C24 | C7 | C8 | H1 | 113.1° | 119.1° |
| C7 | C24 | C10 | C11 | 178.0° | 166.6° |
| C7 | C24 | C10 | C9 | 46.0° | 44.4° |
| C24 | C7 | C1 | C2 | 170.3° | 177.4° |
| C24 | C7 | C8 | C9 | 23.6° | 3.5° |
| C24 | C7 | C8 | H2 | 143.1° | 122.7° |
| C24 | C7 | C8 | H3 | 95.9° | 115.7° |
| C24 | C7 | C1 | H7 | 54.3° | 57.3° |
| C7 | C24 | C10 | H19 | 65.6° | 72.8° |
| C7 | C24 | C23 | H39 | 45.2° | 59.6° |
| C7 | C24 | C23 | H40 | 74.0° | 61.1° |
| C7 | C24 | C25 | H41 | 47.7° | 172.9° |
| C7 | C24 | C25 | H42 | 72.3° | 52.8° |
| C7 | C24 | C25 | H43 | 167.7° | 67.1° |
| C10 | C24 | C7 | C1 | 166.9° | 148.2° |
| C10 | C24 | C7 | C8 | 42.3° | 29.2° |
| C24 | C10 | C11 | C9 | 124.0° | 113.0° |
| C24 | C10 | C11 | H19 | 116.4° | 120.7° |
| C24 | C10 | C11 | C12 | 178.8° | 177.3° |
| C24 | C10 | C9 | H19 | 111.4° | 117.2° |
| C24 | C10 | C9 | C8 | 32.0° | 41.6° |
| C10 | C24 | C7 | H1 | 71.0° | 89.8° |
| C24 | C10 | C9 | H4 | 87.2° | 160.0° |
| C24 | C10 | C9 | H5 | 151.2° | 76.9° |
| C24 | C10 | C11 | H20 | 59.0° | 56.2° |
| C10 | C24 | C23 | H39 | 65.4° | 56.3° |
| C10 | C24 | C23 | H40 | 175.5° | 176.9° |
| C10 | C24 | C25 | H41 | 62.3° | 60.6° |
| C10 | C24 | C25 | H42 | 177.7° | 59.5° |
| C10 | C24 | C25 | H43 | 57.7° | 179.4° |
| C25 | C24 | C7 | C1 | 49.5° | 32.5° |
| C25 | C24 | C7 | C8 | 75.1° | 86.4° |
| C25 | C24 | C10 | C11 | 60.7° | 50.1° |
| C25 | C24 | C10 | C9 | 71.3° | 72.2° |
| C25 | C24 | C7 | H1 | 171.7° | 154.6° |
| C25 | C24 | C10 | H19 | 177.2° | 170.6° |
| C25 | C24 | C23 | H39 | 173.9° | 174.2° |
| C25 | C24 | C23 | H40 | 54.8° | 65.1° |
| C24 | C25 | H41 | H42 | 120.0° | 120.0° |
| C24 | C25 | H41 | H43 | 120.0° | 120.0° |
| C24 | C25 | H42 | H43 | 120.0° | 120.0° |
| C1 | C7 | C8 | H1 | 116.9° | 122.0° |
| C7 | C1 | C2 | H7 | 116.0° | 120.1° |
| C1 | C7 | C8 | C9 | 153.6° | 122.4° |
| C1 | C7 | C8 | H2 | 86.9° | 118.4° |
| C1 | C7 | C8 | H3 | 34.1° | 3.2° |
| C7 | C1 | C2 | H14 | 28.9° | 55.0° |
| C7 | C1 | C | H15 | 180.0° | 179.9° |
| C7 | C1 | C | H16 | 60.0° | 60.1° |
| C7 | C1 | C | H17 | 60.0° | 60.0° |
| C7 | C1 | C2 | H54 | 146.8° | 65.0° |
| C7 | C8 | C9 | C10 | 5.0° | 24.0° |
| C8 | C7 | C1 | C2 | 49.3° | 61.5° |
| C7 | C8 | C9 | H2 | 119.5° | 119.3° |
| C7 | C8 | C9 | H3 | 119.5° | 119.2° |
| C7 | C8 | H2 | H3 | 121.5° | 121.6° |
| C7 | C8 | C9 | H4 | 114.2° | 142.3° |
| C7 | C8 | C9 | H5 | 124.2° | 94.6° |
| C8 | C7 | C1 | H7 | 66.7° | 58.6° |
| C10 | C11 | C12 | H20 | 119.8° | 121.1° |
| C11 | C10 | C9 | H19 | 119.6° | 126.4° |
| C10 | C11 | C12 | C13 | 174.4° | 178.1° |
| C11 | C10 | C9 | C8 | 160.9° | 158.0° |
| C11 | C10 | C9 | H4 | 41.7° | 83.6° |
| C11 | C10 | C9 | H5 | 79.8° | 39.5° |
| C10 | C11 | C12 | H21 | 53.9° | 58.1° |
| C10 | C11 | C12 | H22 | 65.2° | 61.9° |
| C10 | C11 | C21 | H36 | 61.4° | 61.7° |
| C12 | C11 | C10 | C9 | 54.8° | 64.3° |
| C11 | C12 | C13 | H21 | 120.4° | 120.0° |
| C11 | C12 | C13 | H22 | 120.5° | 120.0° |
| C12 | C11 | C10 | H19 | 64.8° | 62.1° |
| C11 | C12 | H21 | H22 | 118.6° | 120.0° |
| C11 | C12 | C13 | H23 | 63.9° | 179.9° |
| C11 | C12 | C13 | H24 | 176.4° | 60.0° |
| C12 | C11 | C21 | H36 | 61.0° | 57.9° |
| C10 | C9 | C8 | H4 | 119.2° | 118.4° |
| C10 | C9 | C8 | H5 | 119.2° | 118.5° |
| C10 | C9 | C8 | H2 | 114.5° | 95.3° |
| C10 | C9 | C8 | H3 | 124.5° | 143.2° |
| C10 | C9 | H4 | H5 | 122.2° | 123.3° |
| C9 | C10 | C11 | H20 | 65.0° | 56.7° |
| C2 | C1 | C7 | H1 | 67.6° | 60.5° |
| C1 | C2 | C3 | H13 | 53.2° | 60.0° |
| C1 | C2 | H14 | H54 | 116.6° | 120.0° |
| C2 | C1 | C | H15 | 53.2° | 59.9° |
| C2 | C1 | C | H16 | 66.8° | 60.0° |
| C2 | C1 | C | H17 | 173.2° | 180.0° |
| C1 | C2 | C3 | H53 | 65.1° | 60.1° |
| C13 | C12 | C11 | H20 | 65.8° | 60.8° |
| C13 | C12 | H21 | H22 | 118.6° | 120.0° |
| C12 | C13 | H23 | H24 | 119.5° | 119.9° |
| C12 | C13 | C14 | H25 | 175.0° | 179.8° |
| C9 | C8 | C7 | H1 | 89.5° | 115.6° |
| C9 | C8 | H2 | H3 | 121.5° | 121.4° |
| C8 | C9 | H4 | H5 | 122.3° | 123.2° |
| C8 | C9 | C10 | H19 | 79.4° | 75.6° |
| H1 | C7 | C8 | H2 | 30.0° | 3.6° |
| H1 | C7 | C8 | H3 | 151.0° | 125.2° |
| H1 | C7 | C1 | H7 | 176.4° | 179.4° |
| H2 | C8 | C9 | H4 | 126.3° | 23.1° |
| H2 | C8 | C9 | H5 | 4.7° | 146.2° |
| H3 | C8 | C9 | H4 | 5.3° | 98.4° |
| H3 | C8 | C9 | H5 | 116.3° | 24.7° |
| H4 | C9 | C10 | H19 | 161.3° | 42.8° |
| H5 | C9 | C10 | H19 | 39.8° | 165.9° |
| H6 | O1 | C6 | H10 | 59.7° | 60.0° |
| H6 | O1 | C6 | H11 | 59.7° | 60.0° |
| H7 | C1 | C2 | H14 | 87.1° | 65.0° |
| H7 | C1 | C | H15 | 62.6° | 60.1° |
| H7 | C1 | C | H16 | 177.4° | 179.9° |
| H7 | C1 | C | H17 | 57.4° | 60.0° |
| H7 | C1 | C2 | H54 | 30.8° | 175.0° |
| H8 | C5 | C6 | H10 | 168.5° | 180.0° |
| H8 | C5 | C6 | H11 | 49.1° | 60.0° |
| H8 | C5 | C4 | H12 | 63.0° | 65.0° |
| H9 | C5 | C6 | H10 | 72.4° | 60.0° |
| H9 | C5 | C6 | H11 | 168.2° | 180.0° |
| H9 | C5 | C4 | H12 | 56.1° | 175.0° |
| H12 | C4 | C3 | H13 | 0.7° | 65.0° |
| H12 | C4 | O | H18 | 63.9° | 180.0° |
| H12 | C4 | C3 | H53 | 117.6° | 175.0° |
| H13 | C3 | C2 | H14 | 174.3° | 60.0° |
| H13 | C3 | C2 | H54 | 67.9° | NaN° |
| H14 | C2 | C3 | H53 | 56.0° | 179.9° |
| H15 | C | H16 | H17 | 120.0° | 120.1° |
| H19 | C10 | C11 | H20 | 175.4° | 176.9° |
| H20 | C11 | C12 | H21 | 173.7° | 179.2° |
| H20 | C11 | C12 | H22 | 54.6° | 59.1° |
| H20 | C11 | C21 | H36 | 179.7° | 178.6° |
| H21 | C12 | C13 | H23 | 175.6° | 60.1° |
| H21 | C12 | C13 | H24 | 56.0° | 180.0° |
| H22 | C12 | C13 | H23 | 56.5° | 59.9° |
| H22 | C12 | C13 | H24 | 63.2° | 60.0° |
| H23 | C13 | C14 | H25 | 54.9° | 60.2° |
| H24 | C13 | C14 | H25 | 64.8° | 59.8° |
| H25 | C14 | C15 | H26 | 59.3° | 180.0° |
| H25 | C14 | C15 | H27 | 179.1° | 60.0° |
| H26 | C15 | C16 | H28 | 61.6° | 180.0° |
| H27 | C15 | C16 | H28 | 178.6° | 59.9° |
| H28 | C16 | C17 | H29 | 177.7° | 180.0° |
| H28 | C16 | C17 | H30 | 62.4° | 59.9° |
| H28 | C16 | C26 | H44 | 120.8° | 173.2° |
| H28 | C16 | C26 | H45 | 120.7° | 66.8° |
| H29 | C17 | C18 | H31 | 58.7° | 60.1° |
| H29 | C17 | C18 | H32 | 177.7° | 179.9° |
| H30 | C17 | C18 | H31 | 61.1° | 60.0° |
| H30 | C17 | C18 | H32 | 57.9° | 60.0° |
| H33 | C20 | H34 | H35 | 120.0° | 120.0° |
| H36 | C21 | C22 | H37 | 177.6° | 55.6° |
| H36 | C21 | C22 | H38 | 58.6° | 174.6° |
| H37 | C22 | C23 | H39 | 173.9° | 58.8° |
| H37 | C22 | C23 | H40 | 54.8° | 62.2° |
| H38 | C22 | C23 | H39 | 54.8° | 177.9° |
| H38 | C22 | C23 | H40 | 64.3° | 56.8° |
| H41 | C25 | H42 | H43 | 120.0° | 120.0° |
| H46 | C28 | H47 | H48 | 120.0° | 120.0° |
| H49 | C29 | H50 | H51 | 120.0° | 120.1° |
| H53 | C3 | C2 | H54 | 173.9° | 59.9° |
