A1JMF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C22 | sing | 1.53Å | 1.56Å | |
| C1 | C27 | sing | 1.55Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C8 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | O1 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O2 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C10 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C9 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | C16 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | O4 | sing | 1.43Å | 1.44Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | C17 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | C20 | sing | 1.53Å | 1.55Å | |
| C15 | C25 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | O3 | doub | 1.21Å | 1.21Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.54Å | 1.54Å | |
| C19 | C21 | sing | 1.52Å | 1.52Å | |
| C20 | C24 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.55Å | 1.54Å | |
| C21 | C26 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.52Å | 1.53Å | |
| C22 | C28 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.54Å | 1.54Å | |
| C26 | C27 | sing | 1.55Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C28 | H47 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| O1 | H16 | sing | 0.97Å | 0.95Å | |
| O2 | H17 | sing | 0.97Å | 0.95Å | |
| O4 | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C22 | 120.0° | 110.3° |
| C2 | C1 | C27 | 112.8° | 110.3° |
| C1 | C2 | C3 | 111.5° | 109.5° |
| C1 | C2 | C8 | 112.1° | 109.4° |
| C2 | C1 | H1 | 106.7° | 110.2° |
| C1 | C2 | H2 | 106.9° | 109.4° |
| C22 | C1 | C27 | 103.4° | 105.3° |
| C1 | C22 | C21 | 99.8° | 103.3° |
| C1 | C22 | C23 | 116.8° | 116.4° |
| C1 | C22 | C28 | 110.3° | 109.8° |
| C22 | C1 | H1 | 106.5° | 110.3° |
| C1 | C27 | C26 | 107.0° | 106.4° |
| C27 | C1 | H1 | 106.6° | 110.4° |
| C1 | C27 | H44 | 110.1° | 110.1° |
| C1 | C27 | H45 | 110.1° | 110.1° |
| C3 | C2 | C8 | 111.7° | 109.5° |
| C2 | C3 | C4 | 115.4° | 109.5° |
| C2 | C3 | O1 | 109.1° | 109.5° |
| C3 | C2 | H2 | 107.0° | 109.5° |
| C2 | C3 | H3 | 107.4° | 109.5° |
| C8 | C2 | H2 | 107.1° | 109.5° |
| C2 | C8 | H10 | 109.5° | 109.4° |
| C2 | C8 | H11 | 109.5° | 109.5° |
| C2 | C8 | H12 | 109.5° | 109.5° |
| C4 | C3 | O1 | 108.7° | 109.5° |
| C3 | C4 | C5 | 117.0° | 109.4° |
| C3 | C4 | O2 | 107.9° | 109.5° |
| C4 | C3 | H3 | 107.4° | 109.5° |
| C3 | C4 | H4 | 107.0° | 109.5° |
| O1 | C3 | H3 | 108.7° | 109.5° |
| C3 | O1 | H16 | 109.5° | 114.0° |
| C5 | C4 | O2 | 109.4° | 109.5° |
| C4 | C5 | C6 | 113.7° | 109.4° |
| C4 | C5 | C10 | 111.7° | 109.5° |
| C5 | C4 | H4 | 107.0° | 109.5° |
| C4 | C5 | H5 | 106.6° | 109.5° |
| O2 | C4 | H4 | 108.2° | 109.4° |
| C4 | O2 | H17 | 109.5° | 114.0° |
| C6 | C5 | C10 | 111.2° | 109.5° |
| C5 | C6 | C7 | 113.9° | 109.5° |
| C5 | C6 | C9 | 112.1° | 109.5° |
| C6 | C5 | H5 | 106.5° | 109.5° |
| C5 | C6 | H6 | 107.6° | 109.5° |
| C5 | C10 | H18 | 109.5° | 109.5° |
| C5 | C10 | H19 | 109.5° | 109.5° |
| C5 | C10 | H20 | 109.4° | 109.4° |
| C10 | C5 | H5 | 106.7° | 109.5° |
| C7 | C6 | C9 | 107.5° | 109.5° |
| C7 | C6 | H6 | 107.7° | 109.5° |
| C6 | C7 | H8 | 109.5° | 109.4° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.4° |
| C9 | C6 | H6 | 107.7° | 109.4° |
| C6 | C9 | H14 | 109.5° | 109.5° |
| C6 | C9 | H15 | 109.4° | 109.5° |
| C6 | C9 | H13 | 109.4° | 109.4° |
| C12 | C11 | C16 | 111.3° | 109.9° |
| C11 | C12 | C13 | 110.0° | 109.8° |
| C11 | C12 | O4 | 110.2° | 109.4° |
| C12 | C11 | H22 | 109.0° | 109.4° |
| C12 | C11 | H21 | 109.0° | 109.4° |
| C11 | C12 | H23 | 108.9° | 109.4° |
| C11 | C16 | C15 | 113.7° | 109.1° |
| C16 | C11 | H22 | 109.0° | 109.5° |
| C16 | C11 | H21 | 109.0° | 109.4° |
| C11 | C16 | H27 | 108.4° | 109.6° |
| C11 | C16 | H28 | 108.4° | 109.6° |
| C13 | C12 | O4 | 109.0° | 109.4° |
| C12 | C13 | C14 | 109.7° | 109.0° |
| C13 | C12 | H23 | 108.8° | 109.4° |
| C12 | C13 | H24 | 109.4° | 109.6° |
| C12 | C13 | H25 | 109.4° | 109.6° |
| O4 | C12 | H23 | 109.9° | 109.4° |
| C12 | O4 | H41 | 109.5° | 114.0° |
| C13 | C14 | C15 | 112.6° | 109.1° |
| C13 | C14 | C17 | 113.2° | 110.4° |
| C14 | C13 | H24 | 109.4° | 109.5° |
| C14 | C13 | H25 | 109.4° | 109.6° |
| C13 | C14 | H26 | 106.6° | 109.5° |
| C15 | C14 | C17 | 110.6° | 108.2° |
| C14 | C15 | C16 | 106.8° | 109.1° |
| C14 | C15 | C20 | 107.4° | 109.3° |
| C14 | C15 | C25 | 110.9° | 109.4° |
| C15 | C14 | H26 | 106.3° | 109.7° |
| C14 | C17 | C18 | 114.8° | 117.6° |
| C14 | C17 | O3 | 122.6° | 121.2° |
| C17 | C14 | H26 | 107.0° | 110.0° |
| C16 | C15 | C20 | 111.6° | 110.6° |
| C16 | C15 | C25 | 108.5° | 109.0° |
| C15 | C16 | H27 | 108.4° | 109.5° |
| C15 | C16 | H28 | 108.4° | 109.5° |
| C20 | C15 | C25 | 111.5° | 109.4° |
| C15 | C20 | C19 | 112.5° | 109.3° |
| C15 | C20 | C24 | 114.1° | 109.5° |
| C15 | C20 | H32 | 106.0° | 109.0° |
| C15 | C25 | H39 | 109.5° | 109.5° |
| C15 | C25 | H40 | 109.5° | 109.5° |
| C15 | C25 | H38 | 109.5° | 109.5° |
| C18 | C17 | O3 | 122.5° | 121.2° |
| C17 | C18 | C19 | 111.0° | 109.1° |
| C17 | C18 | H29 | 109.1° | 109.5° |
| C17 | C18 | H30 | 109.1° | 109.5° |
| C18 | C19 | C20 | 110.5° | 109.6° |
| C18 | C19 | C21 | 111.3° | 109.7° |
| C19 | C18 | H29 | 109.1° | 109.5° |
| C19 | C18 | H30 | 109.1° | 109.5° |
| C18 | C19 | H31 | 108.5° | 110.0° |
| C20 | C19 | C21 | 109.3° | 107.3° |
| C19 | C20 | C24 | 111.2° | 111.6° |
| C20 | C19 | H31 | 108.5° | 109.9° |
| C19 | C20 | H32 | 106.1° | 108.9° |
| C19 | C21 | C22 | 114.9° | 107.3° |
| C19 | C21 | C26 | 118.4° | 115.9° |
| C21 | C19 | H31 | 108.7° | 110.4° |
| C19 | C21 | H33 | 106.2° | 110.3° |
| C20 | C24 | C23 | 113.5° | 111.7° |
| C24 | C20 | H32 | 106.2° | 108.5° |
| C20 | C24 | H36 | 108.4° | 109.0° |
| C20 | C24 | H37 | 108.5° | 109.1° |
| C22 | C21 | C26 | 104.4° | 101.8° |
| C21 | C22 | C23 | 106.0° | 107.2° |
| C21 | C22 | C28 | 112.3° | 109.8° |
| C22 | C21 | H33 | 106.0° | 110.4° |
| C21 | C26 | C27 | 103.8° | 102.9° |
| C26 | C21 | H33 | 106.1° | 110.8° |
| C21 | C26 | H42 | 110.9° | 110.7° |
| C21 | C26 | H43 | 110.9° | 110.8° |
| C23 | C22 | C28 | 111.1° | 110.0° |
| C22 | C23 | C24 | 112.1° | 107.2° |
| C22 | C23 | H34 | 108.8° | 109.9° |
| C22 | C23 | H35 | 108.8° | 109.9° |
| C22 | C28 | H48 | 109.5° | 109.5° |
| C22 | C28 | H46 | 109.5° | 109.5° |
| C22 | C28 | H47 | 109.5° | 109.4° |
| C24 | C23 | H34 | 108.8° | 109.9° |
| C24 | C23 | H35 | 108.8° | 109.9° |
| C23 | C24 | H36 | 108.5° | 109.0° |
| C23 | C24 | H37 | 108.4° | 109.0° |
| C27 | C26 | H42 | 110.9° | 110.7° |
| C27 | C26 | H43 | 110.9° | 110.7° |
| C26 | C27 | H44 | 110.1° | 110.1° |
| C26 | C27 | H45 | 110.1° | 110.1° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| H18 | C10 | H20 | 109.5° | 109.5° |
| H19 | C10 | H20 | 109.5° | 109.5° |
| H22 | C11 | H21 | 109.5° | 109.3° |
| H24 | C13 | H25 | 109.5° | 109.6° |
| H27 | C16 | H28 | 109.4° | 109.6° |
| H29 | C18 | H30 | 109.4° | 109.7° |
| H34 | C23 | H35 | 109.5° | 110.0° |
| H36 | C24 | H37 | 109.5° | 109.0° |
| H39 | C25 | H40 | 109.4° | 109.5° |
| H39 | C25 | H38 | 109.5° | 109.4° |
| H40 | C25 | H38 | 109.5° | 109.5° |
| H42 | C26 | H43 | 109.5° | 110.8° |
| H44 | C27 | H45 | 109.5° | 110.1° |
| H48 | C28 | H46 | 109.5° | 109.4° |
| H48 | C28 | H47 | 109.5° | 109.5° |
| H46 | C28 | H47 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H8 | C7 | H7 | 109.5° | 109.5° |
| H9 | C7 | H7 | 109.4° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.4° |
| H10 | C8 | H12 | 109.4° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H14 | C9 | H13 | 109.5° | 109.5° |
| H15 | C9 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C22 | C27 | 126.7° | 119.0° |
| C2 | C1 | C22 | H1 | 121.2° | 121.9° |
| C2 | C1 | C27 | H1 | 116.8° | 122.0° |
| C1 | C2 | C3 | C8 | 126.4° | 120.0° |
| C1 | C2 | C3 | H2 | 116.6° | 120.0° |
| C1 | C2 | C8 | H2 | 117.0° | 119.9° |
| C1 | C2 | C3 | C4 | 175.4° | 176.8° |
| C1 | C2 | C3 | O1 | 62.0° | 63.2° |
| C2 | C1 | C22 | C21 | 166.7° | 148.1° |
| C2 | C1 | C22 | C23 | 79.7° | 94.7° |
| C2 | C1 | C22 | C28 | 48.3° | 31.0° |
| C2 | C1 | C27 | C26 | 151.2° | 122.4° |
| C2 | C1 | C27 | H44 | 89.2° | 118.4° |
| C2 | C1 | C27 | H45 | 31.6° | 3.1° |
| C1 | C2 | C3 | H3 | 55.7° | 56.8° |
| C1 | C2 | C8 | H10 | 180.0° | 176.3° |
| C1 | C2 | C8 | H11 | 60.0° | 63.8° |
| C1 | C2 | C8 | H12 | 60.0° | 56.3° |
| C22 | C1 | C27 | H1 | 112.1° | 119.0° |
| C22 | C1 | C2 | C3 | 172.9° | 173.9° |
| C22 | C1 | C2 | C8 | 60.9° | 66.0° |
| C1 | C22 | C21 | C19 | 177.8° | 166.4° |
| C1 | C22 | C21 | C23 | 121.7° | 123.5° |
| C1 | C22 | C21 | C28 | 116.8° | 117.1° |
| C1 | C22 | C21 | C26 | 46.5° | 44.3° |
| C1 | C22 | C23 | C28 | 127.7° | 125.7° |
| C1 | C22 | C23 | C24 | 166.4° | 179.5° |
| C22 | C1 | C27 | C26 | 20.1° | 3.4° |
| C22 | C1 | C2 | H2 | 56.2° | 53.9° |
| C1 | C22 | C21 | H33 | 65.3° | 73.4° |
| C1 | C22 | C23 | H34 | 73.1° | 61.0° |
| C1 | C22 | C23 | H35 | 46.1° | 60.1° |
| C22 | C1 | C27 | H44 | 139.7° | 122.7° |
| C22 | C1 | C27 | H45 | 99.5° | 115.9° |
| C1 | C22 | C28 | H48 | 180.0° | 66.2° |
| C1 | C22 | C28 | H46 | 60.0° | 173.8° |
| C1 | C22 | C28 | H47 | 60.0° | 53.9° |
| C27 | C1 | C2 | C3 | 50.7° | 58.0° |
| C27 | C1 | C2 | C8 | 176.9° | 178.1° |
| C27 | C1 | C22 | C21 | 40.0° | 29.2° |
| C1 | C27 | C26 | C21 | 8.4° | 23.9° |
| C27 | C1 | C22 | C23 | 153.6° | 146.3° |
| C27 | C1 | C22 | C28 | 78.3° | 87.9° |
| C1 | C27 | C26 | H44 | 119.6° | 119.2° |
| C1 | C27 | C26 | H45 | 119.6° | 119.2° |
| C27 | C1 | C2 | H2 | 66.0° | 62.0° |
| C1 | C27 | C26 | H42 | 110.7° | 94.4° |
| C1 | C27 | C26 | H43 | 127.5° | 142.3° |
| C1 | C27 | H44 | H45 | 121.2° | 121.5° |
| C3 | C2 | C8 | H2 | 116.9° | 120.0° |
| C2 | C3 | C4 | O1 | 122.8° | 120.0° |
| C2 | C3 | C4 | H3 | 119.7° | 120.0° |
| C2 | C3 | O1 | H3 | 116.8° | 120.0° |
| C2 | C3 | C4 | C5 | 47.6° | 63.0° |
| C2 | C3 | C4 | O2 | 171.5° | 177.0° |
| C3 | C2 | C1 | H1 | 66.0° | 64.1° |
| C2 | C3 | C4 | H4 | 72.3° | 57.0° |
| C3 | C2 | C8 | H10 | 53.9° | 63.7° |
| C3 | C2 | C8 | H11 | 66.1° | 56.2° |
| C3 | C2 | C8 | H12 | 173.9° | 176.3° |
| C2 | C3 | O1 | H16 | 180.0° | 60.0° |
| C8 | C2 | C3 | C4 | 58.2° | 63.2° |
| C8 | C2 | C3 | O1 | 64.4° | 56.7° |
| C8 | C2 | C1 | H1 | 60.2° | 56.0° |
| C8 | C2 | C3 | H3 | 177.9° | 176.8° |
| C2 | C8 | H10 | H11 | 120.0° | 120.0° |
| C2 | C8 | H10 | H12 | 120.0° | 120.0° |
| C2 | C8 | H11 | H12 | 120.0° | 120.1° |
| C4 | C3 | O1 | H3 | 116.6° | 120.0° |
| C3 | C4 | C5 | O2 | 123.1° | 120.0° |
| C3 | C4 | C5 | H4 | 119.9° | 120.0° |
| C3 | C4 | O2 | H4 | 115.4° | 120.0° |
| C3 | C4 | C5 | C6 | 177.3° | 176.4° |
| C3 | C4 | C5 | C10 | 50.5° | 63.7° |
| C4 | C3 | C2 | H2 | 58.8° | 56.8° |
| C3 | C4 | C5 | H5 | 65.6° | 56.4° |
| C4 | C3 | O1 | H16 | 53.4° | 60.0° |
| C3 | C4 | O2 | H17 | 180.0° | 60.0° |
| O1 | C3 | C4 | C5 | 170.5° | 177.0° |
| O1 | C3 | C4 | O2 | 65.7° | 57.0° |
| O1 | C3 | C2 | H2 | 178.6° | 176.8° |
| O1 | C3 | C4 | H4 | 50.6° | 63.0° |
| C5 | C4 | O2 | H4 | 116.3° | 120.0° |
| C4 | C5 | C6 | C10 | 127.1° | 120.0° |
| C4 | C5 | C6 | H5 | 117.1° | 120.0° |
| C4 | C5 | C10 | H5 | 116.1° | 120.0° |
| C4 | C5 | C6 | C7 | 39.6° | 60.0° |
| C4 | C5 | C6 | C9 | 162.0° | 180.0° |
| C4 | C5 | C10 | H18 | 180.0° | 65.1° |
| C4 | C5 | C10 | H19 | 60.0° | 174.8° |
| C4 | C5 | C10 | H20 | 60.0° | 54.8° |
| C5 | C4 | C3 | H3 | 72.1° | 57.0° |
| C4 | C5 | C6 | H6 | 79.7° | 60.1° |
| C5 | C4 | O2 | H17 | 51.6° | 59.9° |
| O2 | C4 | C5 | C6 | 54.3° | 63.7° |
| O2 | C4 | C5 | C10 | 72.6° | 56.3° |
| O2 | C4 | C3 | H3 | 51.8° | 63.0° |
| O2 | C4 | C5 | H5 | 171.3° | 176.4° |
| C6 | C5 | C10 | H5 | 115.8° | 120.0° |
| C5 | C6 | C7 | C9 | 124.9° | 120.0° |
| C5 | C6 | C7 | H6 | 119.3° | 120.1° |
| C5 | C6 | C9 | H6 | 118.2° | 120.0° |
| C6 | C5 | C10 | H18 | 51.8° | 54.9° |
| C6 | C5 | C10 | H19 | 171.9° | 65.2° |
| C6 | C5 | C10 | H20 | 68.1° | 174.8° |
| C6 | C5 | C4 | H4 | 62.8° | 56.3° |
| C5 | C6 | C7 | H8 | 180.0° | 60.0° |
| C5 | C6 | C7 | H9 | 60.0° | 180.0° |
| C5 | C6 | C7 | H7 | 60.0° | 60.0° |
| C5 | C6 | C9 | H14 | 180.0° | 60.0° |
| C5 | C6 | C9 | H15 | 60.0° | 180.0° |
| C5 | C6 | C9 | H13 | 60.0° | 60.0° |
| C10 | C5 | C6 | C7 | 166.7° | 180.0° |
| C10 | C5 | C6 | C9 | 70.9° | 60.0° |
| C5 | C10 | H18 | H19 | 120.0° | 120.1° |
| C5 | C10 | H18 | H20 | 120.0° | 119.9° |
| C5 | C10 | H19 | H20 | 119.9° | 119.9° |
| C10 | C5 | C4 | H4 | 170.4° | 176.3° |
| C10 | C5 | C6 | H6 | 47.3° | 59.9° |
| C7 | C6 | C9 | H6 | 115.9° | 120.0° |
| C7 | C6 | C5 | H5 | 77.5° | 60.0° |
| C6 | C7 | H8 | H9 | 120.0° | 120.0° |
| C6 | C7 | H8 | H7 | 120.0° | 119.9° |
| C6 | C7 | H9 | H7 | 120.0° | 119.9° |
| C7 | C6 | C9 | H14 | 54.0° | 180.0° |
| C7 | C6 | C9 | H15 | 66.0° | 59.9° |
| C7 | C6 | C9 | H13 | 174.0° | 60.0° |
| C9 | C6 | C5 | H5 | 44.9° | 60.0° |
| C9 | C6 | C7 | H8 | 55.1° | 60.0° |
| C9 | C6 | C7 | H9 | 175.1° | 60.0° |
| C9 | C6 | C7 | H7 | 64.9° | 180.0° |
| C6 | C9 | H14 | H15 | 120.0° | 120.0° |
| C6 | C9 | H14 | H13 | 120.0° | 120.0° |
| C6 | C9 | H15 | H13 | 120.0° | 119.9° |
| C12 | C11 | C16 | H22 | 120.3° | 120.1° |
| C12 | C11 | C16 | H21 | 120.3° | 120.1° |
| C11 | C12 | C13 | O4 | 120.9° | 120.1° |
| C11 | C12 | C13 | H23 | 119.2° | 120.1° |
| C11 | C12 | O4 | H23 | 120.0° | 119.9° |
| C11 | C12 | C13 | C14 | 58.7° | 59.6° |
| C12 | C11 | C16 | C15 | 56.4° | 59.6° |
| C12 | C11 | H22 | H21 | 119.1° | 119.8° |
| C11 | C12 | C13 | H24 | 61.3° | 60.2° |
| C11 | C12 | C13 | H25 | 178.8° | 179.5° |
| C12 | C11 | C16 | H27 | 64.2° | 60.3° |
| C12 | C11 | C16 | H28 | 177.1° | 179.4° |
| C11 | C12 | O4 | H41 | 180.0° | 60.0° |
| C16 | C11 | C12 | C13 | 57.1° | 59.1° |
| C16 | C11 | C12 | O4 | 63.1° | 61.0° |
| C11 | C16 | C15 | C14 | 53.6° | 60.9° |
| C11 | C16 | C15 | H27 | 120.7° | 119.9° |
| C11 | C16 | C15 | H28 | 120.7° | 119.9° |
| C11 | C16 | C15 | C20 | 170.7° | 178.8° |
| C11 | C16 | C15 | C25 | 66.0° | 58.5° |
| C16 | C11 | H22 | H21 | 119.2° | 119.8° |
| C16 | C11 | C12 | H23 | 176.2° | 179.1° |
| C11 | C16 | H27 | H28 | 118.1° | 120.3° |
| C13 | C12 | O4 | H23 | 119.2° | 119.8° |
| C12 | C13 | C14 | H24 | 120.0° | 119.9° |
| C12 | C13 | C14 | H25 | 120.1° | 119.9° |
| C12 | C13 | C14 | C15 | 59.8° | 61.0° |
| C12 | C13 | C14 | C17 | 173.8° | 179.8° |
| C13 | C12 | C11 | H22 | 177.3° | 179.2° |
| C13 | C12 | C11 | H21 | 63.2° | 61.1° |
| C12 | C13 | H24 | H25 | 119.9° | 120.3° |
| C12 | C13 | C14 | H26 | 56.5° | 59.0° |
| C13 | C12 | O4 | H41 | 59.2° | 179.6° |
| O4 | C12 | C13 | C14 | 62.2° | 60.5° |
| O4 | C12 | C11 | H22 | 57.1° | 59.2° |
| O4 | C12 | C11 | H21 | 176.6° | 178.9° |
| O4 | C12 | C13 | H24 | 177.8° | 179.7° |
| O4 | C12 | C13 | H25 | 57.9° | 59.4° |
| C13 | C14 | C15 | C17 | 127.8° | 120.1° |
| C13 | C14 | C15 | H26 | 116.4° | 119.9° |
| C13 | C14 | C17 | H26 | 117.2° | 121.0° |
| C13 | C14 | C15 | C16 | 55.6° | 62.0° |
| C13 | C14 | C15 | C20 | 175.5° | 176.9° |
| C13 | C14 | C15 | C25 | 62.4° | 57.1° |
| C13 | C14 | C17 | C18 | 176.1° | 171.9° |
| C13 | C14 | C17 | O3 | 4.0° | 8.1° |
| C14 | C13 | C12 | H23 | 178.0° | 179.7° |
| C14 | C13 | H24 | H25 | 119.9° | 120.2° |
| C15 | C14 | C17 | H26 | 115.4° | 119.7° |
| C14 | C15 | C16 | C20 | 117.1° | 120.3° |
| C14 | C15 | C16 | C25 | 119.6° | 119.4° |
| C14 | C15 | C20 | C25 | 121.7° | 119.8° |
| C15 | C14 | C17 | C18 | 56.5° | 52.7° |
| C15 | C14 | C17 | O3 | 123.5° | 127.4° |
| C14 | C15 | C20 | C19 | 58.6° | 64.3° |
| C14 | C15 | C20 | C24 | 173.5° | 173.1° |
| C15 | C14 | C13 | H24 | 60.2° | 58.9° |
| C15 | C14 | C13 | H25 | 179.8° | 179.1° |
| C14 | C15 | C16 | H27 | 67.1° | 59.0° |
| C14 | C15 | C16 | H28 | 174.2° | 179.2° |
| C14 | C15 | C20 | H32 | 57.0° | 54.6° |
| C14 | C15 | C25 | H39 | 180.0° | 59.9° |
| C14 | C15 | C25 | H40 | 60.0° | 180.0° |
| C14 | C15 | C25 | H38 | 60.0° | 60.0° |
| C17 | C14 | C15 | C16 | 176.6° | 177.9° |
| C17 | C14 | C15 | C20 | 56.7° | 56.8° |
| C17 | C14 | C15 | C25 | 65.4° | 63.0° |
| C14 | C17 | C18 | O3 | 179.9° | 180.0° |
| C14 | C17 | C18 | C19 | 53.2° | 51.4° |
| C17 | C14 | C13 | H24 | 66.1° | 59.9° |
| C17 | C14 | C13 | H25 | 53.8° | 60.3° |
| C14 | C17 | C18 | H29 | 173.5° | 171.3° |
| C14 | C17 | C18 | H30 | 67.0° | 68.4° |
| C16 | C15 | C20 | C25 | 121.5° | 120.1° |
| C16 | C15 | C20 | C19 | 175.4° | 175.6° |
| C16 | C15 | C20 | C24 | 56.7° | 53.0° |
| C15 | C16 | C11 | H22 | 176.7° | 179.7° |
| C15 | C16 | C11 | H21 | 63.8° | 60.6° |
| C16 | C15 | C14 | H26 | 60.8° | 58.0° |
| C15 | C16 | H27 | H28 | 118.0° | 120.1° |
| C16 | C15 | C20 | H32 | 59.8° | 65.5° |
| C16 | C15 | C25 | H39 | 63.0° | 179.1° |
| C16 | C15 | C25 | H40 | 57.0° | 60.9° |
| C16 | C15 | C25 | H38 | 177.0° | 59.2° |
| C15 | C20 | C19 | C18 | 56.9° | 62.6° |
| C15 | C20 | C19 | C24 | 129.4° | 121.3° |
| C15 | C20 | C19 | H32 | 115.5° | 119.0° |
| C15 | C20 | C19 | C21 | 179.7° | 178.4° |
| C15 | C20 | C24 | H32 | 116.4° | 118.9° |
| C15 | C20 | C24 | C23 | 179.7° | 175.5° |
| C20 | C15 | C14 | H26 | 59.1° | 63.1° |
| C20 | C15 | C16 | H27 | 50.1° | 61.3° |
| C20 | C15 | C16 | H28 | 68.6° | 58.9° |
| C15 | C20 | C19 | H31 | 62.0° | 58.3° |
| C15 | C20 | C24 | H36 | 59.7° | 64.0° |
| C15 | C20 | C24 | H37 | 59.1° | 54.9° |
| C20 | C15 | C25 | H39 | 60.3° | 59.8° |
| C20 | C15 | C25 | H40 | 179.7° | 60.2° |
| C20 | C15 | C25 | H38 | 59.7° | 179.7° |
| C25 | C15 | C20 | C19 | 63.1° | 55.5° |
| C25 | C15 | C20 | C24 | 64.8° | 67.1° |
| C25 | C15 | C14 | H26 | 178.8° | 177.1° |
| C25 | C15 | C16 | H27 | 173.4° | 178.3° |
| C25 | C15 | C16 | H28 | 54.7° | 61.5° |
| C25 | C15 | C20 | H32 | 178.7° | 174.4° |
| C15 | C25 | H39 | H40 | 120.0° | 120.0° |
| C15 | C25 | H39 | H38 | 120.0° | 119.9° |
| C15 | C25 | H40 | H38 | 120.0° | 120.0° |
| C17 | C18 | C19 | H29 | 120.3° | 119.9° |
| C17 | C18 | C19 | H30 | 120.2° | 119.9° |
| C17 | C18 | C19 | C20 | 51.6° | 53.8° |
| C17 | C18 | C19 | C21 | 173.1° | 171.3° |
| C18 | C17 | C14 | H26 | 58.9° | 67.1° |
| C17 | C18 | H29 | H30 | 119.3° | 120.2° |
| C17 | C18 | C19 | H31 | 67.3° | 67.1° |
| O3 | C17 | C18 | C19 | 126.7° | 128.6° |
| O3 | C17 | C14 | H26 | 121.2° | 112.9° |
| O3 | C17 | C18 | H29 | 6.4° | 8.8° |
| O3 | C17 | C18 | H30 | 113.1° | 111.6° |
| C18 | C19 | C20 | C21 | 122.8° | 119.0° |
| C18 | C19 | C20 | H31 | 118.8° | 120.9° |
| C18 | C19 | C21 | H31 | 119.5° | 121.3° |
| C18 | C19 | C20 | C24 | 173.7° | 176.1° |
| C18 | C19 | C21 | C22 | 179.1° | 176.7° |
| C18 | C19 | C21 | C26 | 54.9° | 63.9° |
| C19 | C18 | H29 | H30 | 119.3° | 120.2° |
| C18 | C19 | C20 | H32 | 58.6° | 56.4° |
| C18 | C19 | C21 | H33 | 64.1° | 63.0° |
| C20 | C19 | C21 | H31 | 118.2° | 119.8° |
| C19 | C20 | C24 | H32 | 115.0° | 120.0° |
| C20 | C19 | C21 | C22 | 58.6° | 64.3° |
| C20 | C19 | C21 | C26 | 177.2° | 177.1° |
| C19 | C20 | C24 | C23 | 51.1° | 54.4° |
| C20 | C19 | C18 | H29 | 171.8° | 173.7° |
| C20 | C19 | C18 | H30 | 68.7° | 66.1° |
| C20 | C19 | C21 | H33 | 58.2° | 55.9° |
| C19 | C20 | C24 | H36 | 171.7° | 174.9° |
| C19 | C20 | C24 | H37 | 69.5° | 66.2° |
| C21 | C19 | C20 | C24 | 50.9° | 57.1° |
| C19 | C21 | C22 | C26 | 131.3° | 122.1° |
| C19 | C21 | C22 | H33 | 116.9° | 120.2° |
| C19 | C21 | C26 | H33 | 119.0° | 126.6° |
| C19 | C21 | C22 | C23 | 60.5° | 70.2° |
| C19 | C21 | C22 | C28 | 61.0° | 49.3° |
| C19 | C21 | C26 | C27 | 163.6° | 157.5° |
| C21 | C19 | C18 | H29 | 66.6° | 68.8° |
| C21 | C19 | C18 | H30 | 52.9° | 51.5° |
| C21 | C19 | C20 | H32 | 64.1° | 62.6° |
| C19 | C21 | C26 | H42 | 44.6° | 39.2° |
| C19 | C21 | C26 | H43 | 77.3° | 84.1° |
| C20 | C24 | C23 | C22 | 55.3° | 57.5° |
| C20 | C24 | C23 | H36 | 120.6° | 120.6° |
| C20 | C24 | C23 | H37 | 120.6° | 120.6° |
| C24 | C20 | C19 | H31 | 67.4° | 63.0° |
| C20 | C24 | C23 | H34 | 175.7° | 176.9° |
| C20 | C24 | C23 | H35 | 65.1° | 61.9° |
| C20 | C24 | H36 | H37 | 118.2° | 118.9° |
| C22 | C21 | C26 | H33 | 111.7° | 117.4° |
| C21 | C22 | C23 | C28 | 122.3° | 119.4° |
| C21 | C22 | C23 | C24 | 56.4° | 64.6° |
| C22 | C21 | C26 | C27 | 34.4° | 41.5° |
| C21 | C22 | C1 | H1 | 72.1° | 90.0° |
| C22 | C21 | C19 | H31 | 59.6° | 55.5° |
| C21 | C22 | C23 | H34 | 176.8° | 176.0° |
| C21 | C22 | C23 | H35 | 64.0° | 54.8° |
| C22 | C21 | C26 | H42 | 84.7° | 76.8° |
| C22 | C21 | C26 | H43 | 153.5° | 159.9° |
| C21 | C22 | C28 | H48 | 69.6° | 179.1° |
| C21 | C22 | C28 | H46 | 50.4° | 60.9° |
| C21 | C22 | C28 | H47 | 170.4° | 59.1° |
| C26 | C21 | C22 | C23 | 168.2° | 167.7° |
| C26 | C21 | C22 | C28 | 70.3° | 72.8° |
| C21 | C26 | C27 | H42 | 119.1° | 118.3° |
| C21 | C26 | C27 | H43 | 119.1° | 118.4° |
| C26 | C21 | C19 | H31 | 64.6° | 57.4° |
| C21 | C26 | H42 | H43 | 122.6° | 123.3° |
| C21 | C26 | C27 | H44 | 111.2° | 95.3° |
| C21 | C26 | C27 | H45 | 128.0° | 143.1° |
| C22 | C23 | C24 | H34 | 120.4° | 119.5° |
| C22 | C23 | C24 | H35 | 120.4° | 119.4° |
| C23 | C22 | C1 | H1 | 41.5° | 27.2° |
| C23 | C22 | C21 | H33 | 56.4° | 50.0° |
| C22 | C23 | H34 | H35 | 118.8° | 121.1° |
| C22 | C23 | C24 | H36 | 175.9° | 178.0° |
| C22 | C23 | C24 | H37 | 65.4° | 63.1° |
| C23 | C22 | C28 | H48 | 48.9° | 63.1° |
| C23 | C22 | C28 | H46 | 168.9° | 56.9° |
| C23 | C22 | C28 | H47 | 71.1° | 176.8° |
| C28 | C22 | C23 | C24 | 65.9° | 54.8° |
| C28 | C22 | C1 | H1 | 169.5° | 152.9° |
| C28 | C22 | C21 | H33 | 177.9° | 169.5° |
| C28 | C22 | C23 | H34 | 54.5° | 64.6° |
| C28 | C22 | C23 | H35 | 173.7° | 174.2° |
| C22 | C28 | H48 | H46 | 120.0° | 120.0° |
| C22 | C28 | H48 | H47 | 120.0° | 120.0° |
| C22 | C28 | H46 | H47 | 120.0° | 119.9° |
| C23 | C24 | C20 | H32 | 63.9° | 65.6° |
| C24 | C23 | H34 | H35 | 118.8° | 121.1° |
| C23 | C24 | H36 | H37 | 118.1° | 118.9° |
| C26 | C27 | C1 | H1 | 92.0° | 115.6° |
| C27 | C26 | C21 | H33 | 77.3° | 75.8° |
| C27 | C26 | H42 | H43 | 122.6° | 123.2° |
| C26 | C27 | H44 | H45 | 121.1° | 121.6° |
| H1 | C1 | C2 | H2 | 177.3° | 175.9° |
| H1 | C1 | C27 | H44 | 27.6° | 3.6° |
| H1 | C1 | C27 | H45 | 148.4° | 125.1° |
| H18 | C10 | H19 | H20 | 120.0° | 120.0° |
| H18 | C10 | C5 | H5 | 63.9° | 174.8° |
| H19 | C10 | C5 | H5 | 56.1° | 54.8° |
| H20 | C10 | C5 | H5 | 176.1° | 65.2° |
| H22 | C11 | C12 | H23 | 63.5° | 60.7° |
| H22 | C11 | C16 | H27 | 56.1° | 59.8° |
| H22 | C11 | C16 | H28 | 62.6° | 60.5° |
| H21 | C11 | C12 | H23 | 55.9° | 59.0° |
| H21 | C11 | C16 | H27 | 175.5° | 179.6° |
| H21 | C11 | C16 | H28 | 56.8° | 59.3° |
| H23 | C12 | C13 | H24 | 57.9° | 59.8° |
| H23 | C12 | C13 | H25 | 62.0° | 60.4° |
| H23 | C12 | O4 | H41 | 59.9° | 59.8° |
| H24 | C13 | C14 | H26 | 176.5° | 178.9° |
| H25 | C13 | C14 | H26 | 63.6° | 60.9° |
| H29 | C18 | C19 | H31 | 53.0° | 52.7° |
| H30 | C18 | C19 | H31 | 172.5° | 173.0° |
| H31 | C19 | C20 | H32 | 177.5° | 177.3° |
| H31 | C19 | C21 | H33 | 176.4° | 175.7° |
| H2 | C2 | C3 | H3 | 60.9° | 63.2° |
| H2 | C2 | C8 | H10 | 63.0° | 56.4° |
| H2 | C2 | C8 | H11 | 177.0° | 176.3° |
| H2 | C2 | C8 | H12 | 57.0° | 63.6° |
| H32 | C20 | C24 | H36 | 56.7° | 54.9° |
| H32 | C20 | C24 | H37 | 175.5° | 173.8° |
| H33 | C21 | C26 | H42 | 163.6° | 165.9° |
| H33 | C21 | C26 | H43 | 41.7° | 42.6° |
| H34 | C23 | C24 | H36 | 63.7° | 62.5° |
| H34 | C23 | C24 | H37 | 55.1° | 56.3° |
| H35 | C23 | C24 | H36 | 55.5° | 58.7° |
| H35 | C23 | C24 | H37 | 174.3° | 177.5° |
| H39 | C25 | H40 | H38 | 120.0° | 120.0° |
| H42 | C26 | C27 | H44 | 129.7° | 146.4° |
| H42 | C26 | C27 | H45 | 8.9° | 24.8° |
| H43 | C26 | C27 | H44 | 7.9° | 23.1° |
| H43 | C26 | C27 | H45 | 112.9° | 98.4° |
| H48 | C28 | H46 | H47 | 120.0° | 120.0° |
| H3 | C3 | C4 | H4 | 168.0° | 177.0° |
| H3 | C3 | O1 | H16 | 63.2° | 179.9° |
| H4 | C4 | C5 | H5 | 54.3° | 63.6° |
| H4 | C4 | O2 | H17 | 64.6° | 180.0° |
| H5 | C5 | C6 | H6 | 163.2° | 180.0° |
| H6 | C6 | C7 | H8 | 60.7° | 180.0° |
| H6 | C6 | C7 | H9 | 59.3° | 60.0° |
| H6 | C6 | C7 | H7 | 179.3° | 60.0° |
| H6 | C6 | C9 | H14 | 61.8° | 60.0° |
| H6 | C6 | C9 | H15 | 178.2° | 60.1° |
| H6 | C6 | C9 | H13 | 58.2° | 180.0° |
| H8 | C7 | H9 | H7 | 120.0° | 120.1° |
| H10 | C8 | H11 | H12 | 120.0° | 120.0° |
| H14 | C9 | H15 | H13 | 120.0° | 120.0° |
