A1JMI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C12 | sing | 1.53Å | 1.53Å | |
| C1 | C4 | sing | 1.55Å | 1.54Å | |
| C2 | C8 | sing | 1.53Å | 1.53Å | |
| C2 | C18 | sing | 1.53Å | 1.52Å | |
| C3 | C10 | sing | 1.52Å | 1.53Å | |
| C3 | C5 | sing | 1.54Å | 1.54Å | |
| C4 | C19 | sing | 1.55Å | 1.56Å | |
| C5 | C9 | sing | 1.52Å | 1.54Å | |
| C6 | C13 | sing | 1.53Å | 1.54Å | |
| C6 | C15 | sing | 1.53Å | 1.52Å | |
| C7 | C17 | sing | 1.53Å | 1.53Å | |
| C7 | C16 | sing | 1.53Å | 1.53Å | |
| C8 | C12 | sing | 1.52Å | 1.53Å | |
| C8 | C9 | sing | 1.52Å | 1.55Å | |
| C9 | C13 | sing | 1.53Å | 1.56Å | |
| C10 | C12 | sing | 1.55Å | 1.54Å | |
| C10 | C19 | sing | 1.53Å | 1.56Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C13 | C17 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | O1 | sing | 1.43Å | 1.43Å | |
| C16 | O2 | sing | 1.43Å | 1.44Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | C27 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C25 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | C27 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | O3 | sing | 1.43Å | 1.43Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | O4 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | 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 | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| O1 | H25 | sing | 0.97Å | 0.95Å | |
| O2 | H27 | sing | 0.97Å | 0.95Å | |
| O3 | H40 | sing | 0.97Å | 0.95Å | |
| O4 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C1 | C4 | 103.3° | 102.9° |
| C1 | C12 | C8 | 118.5° | 116.5° |
| C1 | C12 | C10 | 103.9° | 101.7° |
| C1 | C12 | H20 | 106.0° | 110.4° |
| C12 | C1 | H1 | 111.0° | 110.7° |
| C12 | C1 | H2 | 111.0° | 110.7° |
| C1 | C4 | C19 | 107.0° | 106.4° |
| C4 | C1 | H1 | 111.0° | 110.7° |
| C4 | C1 | H2 | 111.0° | 110.7° |
| C1 | C4 | H8 | 110.1° | 110.1° |
| C1 | C4 | H7 | 110.1° | 110.0° |
| C8 | C2 | C18 | 111.9° | 109.5° |
| C2 | C8 | C12 | 111.4° | 110.3° |
| C2 | C8 | C9 | 111.4° | 109.3° |
| C8 | C2 | H4 | 108.9° | 109.5° |
| C8 | C2 | H3 | 108.9° | 109.5° |
| C2 | C8 | H15 | 108.7° | 109.8° |
| C2 | C18 | C17 | 110.1° | 108.9° |
| C2 | C18 | H29 | 109.3° | 110.1° |
| C2 | C18 | H30 | 109.3° | 109.6° |
| C18 | C2 | H4 | 108.9° | 108.2° |
| C18 | C2 | H3 | 108.9° | 110.6° |
| C10 | C3 | C5 | 112.2° | 107.3° |
| C3 | C10 | C12 | 106.6° | 107.5° |
| C3 | C10 | C19 | 117.1° | 116.5° |
| C3 | C10 | C11 | 110.9° | 109.8° |
| C10 | C3 | H5 | 108.8° | 109.9° |
| C10 | C3 | H6 | 108.8° | 109.9° |
| C3 | C5 | C9 | 112.9° | 111.4° |
| C5 | C3 | H5 | 108.8° | 109.9° |
| C5 | C3 | H6 | 108.8° | 109.9° |
| C3 | C5 | H10 | 108.6° | 109.1° |
| C3 | C5 | H9 | 108.6° | 109.1° |
| C4 | C19 | C10 | 103.5° | 105.3° |
| C4 | C19 | C27 | 111.9° | 110.2° |
| C4 | C19 | H31 | 106.7° | 110.3° |
| C19 | C4 | H8 | 110.1° | 110.1° |
| C19 | C4 | H7 | 110.1° | 110.1° |
| C5 | C9 | C8 | 110.3° | 111.7° |
| C5 | C9 | C13 | 114.6° | 110.1° |
| C9 | C5 | H10 | 108.6° | 109.1° |
| C9 | C5 | H9 | 108.6° | 109.1° |
| C5 | C9 | H16 | 106.1° | 108.8° |
| C13 | C6 | C15 | 113.8° | 109.6° |
| C6 | C13 | C9 | 111.4° | 109.4° |
| C6 | C13 | C17 | 107.1° | 109.4° |
| C6 | C13 | C14 | 108.5° | 109.6° |
| C13 | C6 | H12 | 108.4° | 109.5° |
| C13 | C6 | H11 | 108.4° | 109.5° |
| C6 | C15 | C16 | 112.0° | 109.5° |
| C6 | C15 | O1 | 109.0° | 109.5° |
| C6 | C15 | H24 | 108.5° | 109.5° |
| C15 | C6 | H12 | 108.4° | 109.5° |
| C15 | C6 | H11 | 108.4° | 109.5° |
| C17 | C7 | C16 | 110.9° | 109.4° |
| C7 | C17 | C13 | 113.4° | 109.5° |
| C7 | C17 | C18 | 111.5° | 109.5° |
| C7 | C17 | H28 | 106.5° | 109.4° |
| C17 | C7 | H14 | 109.1° | 109.5° |
| C17 | C7 | H13 | 109.1° | 109.5° |
| C7 | C16 | C15 | 111.0° | 109.4° |
| C7 | C16 | O2 | 108.1° | 109.5° |
| C7 | C16 | H26 | 108.5° | 109.4° |
| C16 | C7 | H14 | 109.1° | 109.4° |
| C16 | C7 | H13 | 109.1° | 109.5° |
| C12 | C8 | C9 | 108.2° | 108.0° |
| C8 | C12 | C10 | 115.6° | 107.0° |
| C8 | C12 | H20 | 106.0° | 110.3° |
| C12 | C8 | H15 | 108.7° | 109.7° |
| C8 | C9 | C13 | 113.2° | 109.5° |
| C9 | C8 | H15 | 108.4° | 109.7° |
| C8 | C9 | H16 | 106.0° | 108.5° |
| C9 | C13 | C17 | 107.7° | 109.4° |
| C9 | C13 | C14 | 111.1° | 109.5° |
| C13 | C9 | H16 | 105.9° | 108.2° |
| C12 | C10 | C19 | 99.4° | 103.2° |
| C12 | C10 | C11 | 112.4° | 109.7° |
| C10 | C12 | H20 | 105.8° | 110.4° |
| C19 | C10 | C11 | 110.0° | 109.8° |
| C10 | C19 | C27 | 120.4° | 110.3° |
| C10 | C19 | H31 | 106.7° | 110.3° |
| C10 | C11 | H18 | 109.5° | 109.5° |
| C10 | C11 | H19 | 109.4° | 109.5° |
| C10 | C11 | H17 | 109.5° | 109.5° |
| C17 | C13 | C14 | 111.0° | 109.5° |
| C13 | C17 | C18 | 112.2° | 109.5° |
| C13 | C17 | H28 | 106.2° | 109.5° |
| C13 | C14 | H23 | 109.5° | 109.5° |
| C13 | C14 | H21 | 109.5° | 109.5° |
| C13 | C14 | H22 | 109.5° | 109.5° |
| C16 | C15 | O1 | 109.1° | 109.5° |
| C15 | C16 | O2 | 110.9° | 109.5° |
| C16 | C15 | H24 | 108.5° | 109.5° |
| C15 | C16 | H26 | 108.6° | 109.5° |
| O1 | C15 | H24 | 109.7° | 109.4° |
| C15 | O1 | H25 | 109.5° | 114.0° |
| O2 | C16 | H26 | 109.7° | 109.5° |
| C16 | O2 | H27 | 109.5° | 114.0° |
| C18 | C17 | H28 | 106.5° | 109.4° |
| C17 | C18 | H29 | 109.3° | 109.5° |
| C17 | C18 | H30 | 109.3° | 109.4° |
| C19 | C27 | C23 | 110.4° | 109.5° |
| C19 | C27 | C28 | 112.2° | 109.4° |
| C27 | C19 | H31 | 106.8° | 110.3° |
| C19 | C27 | H47 | 106.6° | 109.5° |
| C20 | C21 | C25 | 113.5° | 109.5° |
| C20 | C21 | C22 | 108.9° | 109.5° |
| C21 | C20 | H34 | 109.5° | 109.5° |
| C21 | C20 | H32 | 109.5° | 109.4° |
| C21 | C20 | H33 | 109.5° | 109.4° |
| C20 | C21 | H35 | 107.7° | 109.5° |
| C25 | C21 | C22 | 111.4° | 109.5° |
| C21 | C25 | C24 | 115.0° | 109.5° |
| C21 | C25 | C26 | 111.4° | 109.5° |
| C25 | C21 | H35 | 107.4° | 109.4° |
| C21 | C25 | H43 | 106.7° | 109.5° |
| C22 | C21 | H35 | 107.6° | 109.4° |
| C21 | C22 | H38 | 109.5° | 109.5° |
| C21 | C22 | H36 | 109.5° | 109.4° |
| C21 | C22 | H37 | 109.5° | 109.5° |
| C27 | C23 | C24 | 115.5° | 109.5° |
| C27 | C23 | O3 | 111.3° | 109.5° |
| C23 | C27 | C28 | 113.7° | 109.5° |
| C23 | C27 | H47 | 106.7° | 109.5° |
| C27 | C23 | H39 | 107.4° | 109.5° |
| C24 | C23 | O3 | 106.4° | 109.5° |
| C23 | C24 | C25 | 116.3° | 109.5° |
| C23 | C24 | O4 | 106.9° | 109.5° |
| C23 | C24 | H41 | 108.0° | 109.4° |
| C24 | C23 | H39 | 107.3° | 109.4° |
| O3 | C23 | H39 | 108.7° | 109.5° |
| C23 | O3 | H40 | 109.5° | 114.0° |
| C25 | C24 | O4 | 108.2° | 109.5° |
| C24 | C25 | C26 | 109.6° | 109.5° |
| C25 | C24 | H41 | 108.0° | 109.4° |
| C24 | C25 | H43 | 106.8° | 109.5° |
| O4 | C24 | H41 | 109.4° | 109.5° |
| C24 | O4 | H42 | 109.5° | 114.0° |
| C26 | C25 | H43 | 106.9° | 109.5° |
| C25 | C26 | H44 | 109.5° | 109.5° |
| C25 | C26 | H45 | 109.5° | 109.4° |
| C25 | C26 | H46 | 109.5° | 109.5° |
| C27 | C28 | H50 | 109.5° | 109.5° |
| C27 | C28 | H48 | 109.5° | 109.5° |
| C27 | C28 | H49 | 109.5° | 109.5° |
| C28 | C27 | H47 | 106.8° | 109.5° |
| H34 | C20 | H32 | 109.5° | 109.5° |
| H34 | C20 | H33 | 109.5° | 109.5° |
| H32 | C20 | H33 | 109.4° | 109.5° |
| H38 | C22 | H36 | 109.5° | 109.4° |
| H38 | C22 | H37 | 109.5° | 109.5° |
| H36 | C22 | H37 | 109.4° | 109.5° |
| H50 | C28 | H48 | 109.5° | 109.4° |
| H50 | C28 | H49 | 109.4° | 109.5° |
| H48 | C28 | H49 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H18 | C11 | H17 | 109.5° | 109.5° |
| H19 | C11 | H17 | 109.5° | 109.4° |
| H23 | C14 | H21 | 109.5° | 109.5° |
| H23 | C14 | H22 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.4° | 109.4° |
| H1 | C1 | H2 | 109.4° | 110.8° |
| H29 | C18 | H30 | 109.5° | 109.4° |
| H4 | C2 | H3 | 109.5° | 109.5° |
| H44 | C26 | H45 | 109.5° | 109.5° |
| H44 | C26 | H46 | 109.5° | 109.5° |
| H45 | C26 | H46 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 110.0° |
| H8 | C4 | H7 | 109.5° | 110.1° |
| H10 | C5 | H9 | 109.4° | 109.0° |
| H12 | C6 | H11 | 109.5° | 109.4° |
| H14 | C7 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C1 | C4 | H1 | 119.0° | 118.3° |
| C12 | C1 | C4 | H2 | 119.0° | 118.3° |
| C1 | C12 | C8 | C2 | 53.9° | 63.7° |
| C1 | C12 | C10 | C3 | 170.1° | 168.1° |
| C12 | C1 | C4 | C19 | 11.5° | 24.0° |
| C1 | C12 | C8 | C10 | 124.4° | 113.0° |
| C1 | C12 | C8 | H20 | 118.8° | 126.9° |
| C1 | C12 | C8 | C9 | 176.7° | 176.9° |
| C1 | C12 | C10 | H20 | 111.4° | 117.2° |
| C1 | C12 | C10 | C19 | 48.1° | 44.4° |
| C1 | C12 | C10 | C11 | 68.2° | 72.6° |
| C12 | C1 | H1 | H2 | 122.9° | 123.3° |
| C12 | C1 | C4 | H8 | 131.1° | 95.3° |
| C12 | C1 | C4 | H7 | 108.1° | 143.2° |
| C1 | C12 | C8 | H15 | 65.8° | 57.4° |
| C1 | C4 | C19 | H8 | 119.6° | 119.2° |
| C1 | C4 | C19 | H7 | 119.6° | 119.2° |
| C4 | C1 | C12 | C8 | 167.2° | 157.6° |
| C4 | C1 | C12 | C10 | 37.3° | 41.6° |
| C1 | C4 | C19 | C10 | 18.0° | 3.4° |
| C1 | C4 | C19 | C27 | 149.1° | 122.4° |
| C4 | C1 | C12 | H20 | 74.0° | 75.6° |
| C1 | C4 | C19 | H31 | 94.4° | 115.6° |
| C4 | C1 | H1 | H2 | 122.9° | 123.3° |
| C1 | C4 | H8 | H7 | 121.1° | 121.5° |
| C8 | C2 | C18 | H4 | 120.4° | 119.2° |
| C8 | C2 | C18 | H3 | 120.4° | 120.8° |
| C2 | C8 | C9 | C5 | 177.1° | 177.6° |
| C2 | C8 | C12 | C9 | 122.8° | 119.4° |
| C2 | C8 | C12 | H15 | 119.7° | 121.1° |
| C2 | C8 | C9 | H15 | 119.5° | 120.4° |
| C2 | C8 | C9 | C13 | 53.0° | 60.2° |
| C2 | C8 | C12 | C10 | 178.2° | 176.6° |
| C8 | C2 | C18 | C17 | 56.8° | 60.5° |
| C2 | C8 | C12 | H20 | 64.9° | 63.2° |
| C8 | C2 | C18 | H29 | 176.9° | 59.4° |
| C8 | C2 | C18 | H30 | 63.3° | 179.8° |
| C8 | C2 | H4 | H3 | 118.9° | 120.1° |
| C2 | C8 | C9 | H16 | 62.7° | 57.6° |
| C2 | C18 | C17 | C7 | 171.5° | 179.6° |
| C18 | C2 | C8 | C12 | 174.3° | 179.3° |
| C18 | C2 | C8 | C9 | 53.4° | 60.7° |
| C2 | C18 | C17 | C13 | 59.9° | 60.2° |
| C2 | C18 | C17 | H29 | 120.1° | 120.4° |
| C2 | C18 | C17 | H30 | 120.1° | 119.7° |
| C2 | C18 | C17 | H28 | 55.8° | 59.8° |
| C2 | C18 | H29 | H30 | 119.7° | 120.5° |
| C18 | C2 | H4 | H3 | 118.9° | 120.6° |
| C18 | C2 | C8 | H15 | 66.0° | 59.6° |
| C10 | C3 | C5 | H5 | 120.4° | 119.5° |
| C10 | C3 | C5 | H6 | 120.4° | 119.4° |
| C3 | C10 | C19 | C4 | 153.7° | 146.7° |
| C10 | C3 | C5 | C9 | 56.4° | 57.4° |
| C3 | C10 | C12 | C8 | 58.2° | 69.2° |
| C3 | C10 | C12 | C19 | 122.0° | 123.7° |
| C3 | C10 | C12 | C11 | 121.6° | 119.3° |
| C3 | C10 | C19 | C11 | 127.7° | 125.6° |
| C3 | C10 | C19 | C27 | 80.5° | 94.4° |
| C3 | C10 | C11 | H18 | 180.0° | 174.0° |
| C3 | C10 | C11 | H19 | 60.0° | 66.0° |
| C3 | C10 | C11 | H17 | 60.0° | 54.0° |
| C3 | C10 | C12 | H20 | 58.7° | 50.9° |
| C3 | C10 | C19 | H31 | 41.3° | 27.7° |
| C10 | C3 | H5 | H6 | 118.8° | 121.1° |
| C10 | C3 | C5 | H10 | 64.2° | 63.1° |
| C10 | C3 | C5 | H9 | 176.9° | 177.9° |
| C3 | C5 | C9 | H10 | 120.5° | 120.5° |
| C3 | C5 | C9 | H9 | 120.5° | 120.6° |
| C3 | C5 | C9 | C8 | 55.2° | 54.6° |
| C3 | C5 | C9 | C13 | 175.6° | 176.5° |
| C5 | C3 | C10 | C12 | 54.2° | 64.3° |
| C5 | C3 | C10 | C19 | 164.3° | 179.4° |
| C5 | C3 | C10 | C11 | 68.3° | 55.0° |
| C5 | C3 | H5 | H6 | 118.8° | 121.0° |
| C3 | C5 | H10 | H9 | 118.4° | 119.1° |
| C3 | C5 | C9 | H16 | 59.1° | 65.2° |
| C4 | C19 | C10 | C12 | 39.6° | 29.2° |
| C4 | C19 | C10 | C27 | 125.8° | 118.9° |
| C4 | C19 | C10 | H31 | 112.4° | 119.0° |
| C4 | C19 | C10 | C11 | 78.5° | 87.7° |
| C4 | C19 | C27 | H31 | 116.5° | 122.1° |
| C4 | C19 | C27 | C23 | 61.5° | 57.9° |
| C4 | C19 | C27 | C28 | 170.5° | 177.9° |
| C4 | C19 | C27 | H47 | 53.9° | 62.1° |
| C19 | C4 | C1 | H1 | 107.5° | 94.3° |
| C19 | C4 | C1 | H2 | 130.5° | 142.3° |
| C19 | C4 | H8 | H7 | 121.1° | 121.5° |
| C5 | C9 | C13 | C6 | 61.4° | 57.0° |
| C5 | C9 | C8 | C12 | 54.3° | 57.6° |
| C5 | C9 | C8 | C13 | 130.0° | 122.2° |
| C5 | C9 | C8 | H16 | 114.4° | 119.9° |
| C5 | C9 | C13 | H16 | 116.5° | 118.8° |
| C5 | C9 | C13 | C17 | 178.5° | 176.9° |
| C5 | C9 | C13 | C14 | 59.7° | 63.1° |
| C9 | C5 | C3 | H5 | 176.7° | 176.8° |
| C9 | C5 | C3 | H6 | 64.1° | 62.1° |
| C9 | C5 | H10 | H9 | 118.5° | 119.1° |
| C5 | C9 | C8 | H15 | 63.4° | 62.0° |
| C13 | C6 | C15 | H12 | 120.6° | 120.1° |
| C13 | C6 | C15 | H11 | 120.6° | 120.0° |
| C6 | C13 | C17 | C7 | 55.2° | 59.9° |
| C6 | C13 | C9 | C8 | 170.8° | 179.9° |
| C6 | C13 | C9 | C17 | 117.1° | 119.9° |
| C6 | C13 | C9 | C14 | 121.1° | 120.1° |
| C6 | C13 | C17 | C14 | 118.3° | 120.1° |
| C13 | C6 | C15 | C16 | 55.8° | 60.0° |
| C13 | C6 | C15 | O1 | 176.6° | 180.0° |
| C6 | C13 | C17 | C18 | 177.3° | 180.0° |
| C13 | C6 | C15 | H24 | 64.0° | 60.0° |
| C6 | C13 | C14 | H23 | 180.0° | 180.0° |
| C6 | C13 | C14 | H21 | 60.0° | 60.0° |
| C6 | C13 | C14 | H22 | 60.0° | 60.0° |
| C6 | C13 | C17 | H28 | 61.4° | 60.0° |
| C13 | C6 | H12 | H11 | 118.0° | 119.9° |
| C6 | C13 | C9 | H16 | 55.1° | 61.8° |
| C6 | C15 | C16 | C7 | 54.0° | 60.0° |
| C15 | C6 | C13 | C9 | 171.8° | 179.8° |
| C15 | C6 | C13 | C17 | 54.3° | 59.9° |
| C15 | C6 | C13 | C14 | 65.6° | 60.2° |
| C6 | C15 | C16 | O1 | 120.7° | 120.0° |
| C6 | C15 | C16 | H24 | 119.8° | 120.0° |
| C6 | C15 | O1 | H24 | 118.7° | 120.0° |
| C6 | C15 | C16 | O2 | 66.1° | 60.0° |
| C6 | C15 | C16 | H26 | 173.2° | 180.0° |
| C15 | C6 | H12 | H11 | 118.1° | 119.9° |
| C6 | C15 | O1 | H25 | 180.0° | 180.0° |
| C17 | C7 | C16 | H14 | 120.2° | 120.0° |
| C17 | C7 | C16 | H13 | 120.2° | 120.0° |
| C7 | C17 | C13 | C9 | 175.0° | 179.8° |
| C7 | C17 | C13 | C18 | 127.5° | 120.1° |
| C7 | C17 | C13 | H28 | 116.6° | 119.9° |
| C7 | C17 | C13 | C14 | 63.1° | 60.2° |
| C17 | C7 | C16 | C15 | 54.4° | 60.1° |
| C17 | C7 | C16 | O2 | 67.4° | 59.9° |
| C7 | C17 | C18 | H28 | 115.7° | 119.9° |
| C17 | C7 | C16 | H26 | 173.7° | 180.0° |
| C7 | C17 | C18 | H29 | 51.5° | 60.0° |
| C7 | C17 | C18 | H30 | 68.4° | 59.9° |
| C17 | C7 | H14 | H13 | 119.4° | 120.1° |
| C16 | C7 | C17 | C13 | 57.0° | 60.0° |
| C7 | C16 | C15 | O2 | 120.1° | 120.0° |
| C7 | C16 | C15 | H26 | 119.2° | 119.9° |
| C7 | C16 | C15 | O1 | 174.7° | 180.0° |
| C7 | C16 | O2 | H26 | 118.2° | 120.0° |
| C16 | C7 | C17 | C18 | 175.1° | 179.9° |
| C7 | C16 | C15 | H24 | 65.8° | 60.0° |
| C16 | C7 | C17 | H28 | 59.4° | 59.9° |
| C16 | C7 | H14 | H13 | 119.3° | 120.0° |
| C7 | C16 | O2 | H27 | 180.0° | 179.9° |
| C12 | C8 | C9 | H15 | 117.7° | 119.5° |
| C12 | C8 | C9 | C13 | 175.8° | 179.8° |
| C8 | C12 | C10 | H20 | 117.0° | 120.1° |
| C8 | C12 | C10 | C19 | 179.7° | 167.1° |
| C8 | C12 | C10 | C11 | 63.4° | 50.2° |
| C8 | C12 | C1 | H1 | 48.2° | 39.2° |
| C8 | C12 | C1 | H2 | 73.8° | 84.1° |
| C12 | C8 | C2 | H4 | 53.9° | 62.2° |
| C12 | C8 | C2 | H3 | 65.3° | 57.9° |
| C12 | C8 | C9 | H16 | 60.1° | 62.4° |
| C8 | C9 | C13 | H16 | 115.7° | 118.1° |
| C9 | C8 | C12 | C10 | 59.0° | 64.0° |
| C8 | C9 | C13 | C17 | 53.7° | 60.0° |
| C8 | C9 | C13 | C14 | 68.0° | 60.0° |
| C9 | C8 | C12 | H20 | 57.9° | 56.2° |
| C9 | C8 | C2 | H4 | 67.0° | 179.2° |
| C9 | C8 | C2 | H3 | 173.8° | 60.7° |
| C8 | C9 | C5 | H10 | 65.3° | 65.9° |
| C8 | C9 | C5 | H9 | 175.7° | 175.2° |
| C9 | C13 | C17 | C14 | 121.9° | 120.0° |
| C9 | C13 | C17 | C18 | 57.4° | 60.1° |
| C9 | C13 | C14 | H23 | 57.2° | 59.9° |
| C9 | C13 | C14 | H21 | 62.8° | 60.1° |
| C9 | C13 | C14 | H22 | 177.2° | 180.0° |
| C9 | C13 | C17 | H28 | 58.5° | 59.9° |
| C13 | C9 | C5 | H10 | 63.9° | 56.0° |
| C13 | C9 | C5 | H9 | 55.1° | 63.0° |
| C9 | C13 | C6 | H12 | 67.6° | 60.2° |
| C9 | C13 | C6 | H11 | 51.1° | 59.7° |
| C13 | C9 | C8 | H15 | 66.6° | 60.2° |
| C12 | C10 | C19 | C11 | 118.1° | 117.0° |
| C12 | C10 | C19 | C27 | 165.4° | 148.2° |
| C12 | C10 | C11 | H18 | 60.8° | 56.1° |
| C12 | C10 | C11 | H19 | 179.1° | 176.1° |
| C12 | C10 | C11 | H17 | 59.2° | 63.9° |
| C12 | C10 | C19 | H31 | 72.8° | 89.8° |
| C10 | C12 | C1 | H1 | 81.7° | 76.7° |
| C10 | C12 | C1 | H2 | 156.3° | 160.0° |
| C12 | C10 | C3 | H5 | 174.6° | 176.3° |
| C12 | C10 | C3 | H6 | 66.2° | 55.1° |
| C10 | C12 | C8 | H15 | 58.5° | 55.5° |
| C10 | C19 | C27 | H31 | 121.7° | 122.0° |
| C10 | C19 | C27 | C23 | 176.6° | 173.8° |
| C10 | C19 | C27 | C28 | 48.7° | 66.2° |
| C19 | C10 | C11 | H18 | 48.9° | 56.7° |
| C19 | C10 | C11 | H19 | 71.1° | 63.3° |
| C19 | C10 | C11 | H17 | 168.9° | 176.7° |
| C19 | C10 | C12 | H20 | 63.3° | 72.8° |
| C10 | C19 | C27 | H47 | 67.9° | 53.8° |
| C19 | C10 | C3 | H5 | 75.3° | 61.1° |
| C19 | C10 | C3 | H6 | 43.9° | 60.0° |
| C10 | C19 | C4 | H8 | 101.6° | 122.7° |
| C10 | C19 | C4 | H7 | 137.6° | 115.8° |
| C11 | C10 | C19 | C27 | 47.3° | 31.2° |
| C10 | C11 | H18 | H19 | 120.0° | 120.0° |
| C10 | C11 | H18 | H17 | 120.0° | 120.0° |
| C10 | C11 | H19 | H17 | 120.0° | 120.0° |
| C11 | C10 | C12 | H20 | 179.7° | 170.2° |
| C11 | C10 | C19 | H31 | 169.1° | 153.2° |
| C11 | C10 | C3 | H5 | 52.0° | 64.4° |
| C11 | C10 | C3 | H6 | 171.2° | 174.4° |
| C13 | C17 | C18 | H28 | 115.7° | 120.0° |
| C17 | C13 | C14 | H23 | 62.6° | 60.0° |
| C17 | C13 | C14 | H21 | 177.4° | 180.0° |
| C17 | C13 | C14 | H22 | 57.4° | 60.0° |
| C13 | C17 | C18 | H29 | 180.0° | 60.1° |
| C13 | C17 | C18 | H30 | 60.2° | 179.9° |
| C17 | C13 | C6 | H12 | 174.9° | 179.9° |
| C17 | C13 | C6 | H11 | 66.4° | 60.2° |
| C13 | C17 | C7 | H14 | 177.2° | 59.9° |
| C13 | C17 | C7 | H13 | 63.2° | 180.0° |
| C17 | C13 | C9 | H16 | 62.0° | 58.1° |
| C14 | C13 | C17 | C18 | 64.4° | 59.9° |
| C13 | C14 | H23 | H21 | 120.0° | 120.0° |
| C13 | C14 | H23 | H22 | 120.0° | 120.0° |
| C13 | C14 | H21 | H22 | 120.0° | 120.0° |
| C14 | C13 | C17 | H28 | 179.7° | 179.9° |
| C14 | C13 | C6 | H12 | 55.0° | 59.8° |
| C14 | C13 | C6 | H11 | 173.8° | 179.7° |
| C14 | C13 | C9 | H16 | 176.3° | 178.1° |
| C16 | C15 | O1 | H24 | 118.8° | 120.0° |
| C15 | C16 | O2 | H26 | 120.0° | 120.1° |
| C16 | C15 | C6 | H12 | 176.4° | 179.9° |
| C16 | C15 | C6 | H11 | 64.9° | 60.1° |
| C15 | C16 | C7 | H14 | 174.7° | 60.0° |
| C15 | C16 | C7 | H13 | 65.8° | 180.0° |
| C16 | C15 | O1 | H25 | 57.5° | 60.0° |
| C15 | C16 | O2 | H27 | 58.2° | 60.0° |
| O1 | C15 | C16 | O2 | 54.6° | 60.1° |
| O1 | C15 | C16 | H26 | 66.1° | 60.0° |
| O1 | C15 | C6 | H12 | 62.8° | 59.9° |
| O1 | C15 | C6 | H11 | 55.9° | 60.0° |
| O2 | C16 | C15 | H24 | 174.1° | 180.0° |
| O2 | C16 | C7 | H14 | 52.8° | 179.9° |
| O2 | C16 | C7 | H13 | 172.4° | 60.1° |
| C17 | C18 | H29 | H30 | 119.7° | 119.9° |
| C17 | C18 | C2 | H4 | 63.5° | 179.8° |
| C17 | C18 | C2 | H3 | 177.2° | 60.3° |
| C18 | C17 | C7 | H14 | 54.9° | 60.2° |
| C18 | C17 | C7 | H13 | 64.7° | 59.9° |
| C19 | C27 | C23 | C28 | 127.1° | 120.0° |
| C19 | C27 | C23 | H47 | 115.4° | 120.0° |
| C19 | C27 | C23 | C24 | 171.2° | 179.2° |
| C19 | C27 | C23 | O3 | 67.3° | 60.8° |
| C19 | C27 | C28 | H47 | 116.4° | 120.0° |
| C19 | C27 | C28 | H50 | 180.0° | 55.4° |
| C19 | C27 | C28 | H48 | 60.0° | 175.4° |
| C19 | C27 | C28 | H49 | 60.0° | 64.6° |
| C19 | C27 | C23 | H39 | 51.6° | 59.2° |
| C27 | C19 | C4 | H8 | 29.4° | 118.4° |
| C27 | C19 | C4 | H7 | 91.3° | 3.2° |
| C20 | C21 | C25 | C22 | 123.4° | 120.0° |
| C20 | C21 | C25 | H35 | 118.9° | 120.0° |
| C20 | C21 | C22 | H35 | 116.5° | 120.0° |
| C20 | C21 | C25 | C24 | 37.3° | 60.0° |
| C20 | C21 | C25 | C26 | 162.8° | 180.0° |
| C21 | C20 | H34 | H32 | 120.0° | 120.0° |
| C21 | C20 | H34 | H33 | 120.0° | 120.0° |
| C21 | C20 | H32 | H33 | 120.0° | 120.0° |
| C20 | C21 | C22 | H38 | 180.0° | 60.0° |
| C20 | C21 | C22 | H36 | 60.0° | 60.0° |
| C20 | C21 | C22 | H37 | 60.0° | 180.0° |
| C20 | C21 | C25 | H43 | 80.9° | 60.0° |
| C25 | C21 | C22 | H35 | 117.5° | 119.9° |
| C21 | C25 | C24 | C23 | 176.5° | 178.5° |
| C21 | C25 | C24 | C26 | 126.4° | 120.0° |
| C21 | C25 | C24 | H43 | 118.2° | 120.0° |
| C21 | C25 | C24 | O4 | 56.3° | 61.5° |
| C21 | C25 | C26 | H43 | 116.2° | 120.0° |
| C25 | C21 | C20 | H34 | 180.0° | 60.0° |
| C25 | C21 | C20 | H32 | 60.0° | 180.0° |
| C25 | C21 | C20 | H33 | 60.0° | 60.0° |
| C25 | C21 | C22 | H38 | 54.0° | 180.0° |
| C25 | C21 | C22 | H36 | 174.0° | 60.1° |
| C25 | C21 | C22 | H37 | 66.0° | 60.0° |
| C21 | C25 | C24 | H41 | 62.0° | 58.5° |
| C21 | C25 | C26 | H44 | 180.0° | 65.0° |
| C21 | C25 | C26 | H45 | 60.0° | 175.0° |
| C21 | C25 | C26 | H46 | 60.0° | 55.1° |
| C22 | C21 | C25 | C24 | 160.8° | 180.0° |
| C22 | C21 | C25 | C26 | 73.8° | 60.0° |
| C22 | C21 | C20 | H34 | 55.3° | 60.0° |
| C22 | C21 | C20 | H32 | 175.3° | 60.0° |
| C22 | C21 | C20 | H33 | 64.8° | 180.0° |
| C21 | C22 | H38 | H36 | 120.0° | 120.0° |
| C21 | C22 | H38 | H37 | 120.0° | 120.0° |
| C21 | C22 | H36 | H37 | 120.0° | 120.0° |
| C22 | C21 | C25 | H43 | 42.5° | 60.0° |
| C27 | C23 | C24 | O3 | 124.1° | 120.0° |
| C27 | C23 | C24 | H39 | 119.7° | 120.0° |
| C27 | C23 | O3 | H39 | 118.0° | 120.0° |
| C27 | C23 | C24 | C25 | 50.0° | 62.2° |
| C27 | C23 | C24 | O4 | 171.0° | 177.7° |
| C23 | C27 | C28 | H47 | 117.4° | 120.0° |
| C27 | C23 | C24 | H41 | 71.5° | 57.7° |
| C23 | C27 | C28 | H50 | 53.8° | 175.4° |
| C23 | C27 | C28 | H48 | 66.2° | 64.6° |
| C23 | C27 | C28 | H49 | 173.8° | 55.4° |
| C23 | C27 | C19 | H31 | 54.9° | 64.2° |
| C27 | C23 | O3 | H40 | 180.0° | 60.0° |
| C24 | C23 | O3 | H39 | 115.3° | 120.0° |
| C23 | C24 | C25 | O4 | 120.2° | 120.0° |
| C23 | C24 | C25 | H41 | 121.5° | 119.9° |
| C23 | C24 | O4 | H41 | 116.6° | 120.0° |
| C23 | C24 | C25 | C26 | 50.2° | 61.5° |
| C24 | C23 | C27 | C28 | 61.7° | 60.8° |
| C24 | C23 | C27 | H47 | 55.9° | 59.2° |
| C23 | C24 | C25 | H43 | 65.3° | 58.4° |
| C24 | C23 | O3 | H40 | 53.4° | 60.0° |
| C23 | C24 | O4 | H42 | 180.0° | 60.1° |
| O3 | C23 | C24 | C25 | 174.1° | 177.8° |
| O3 | C23 | C24 | O4 | 65.0° | 57.7° |
| O3 | C23 | C27 | C28 | 59.8° | 59.2° |
| O3 | C23 | C24 | H41 | 52.6° | 62.3° |
| O3 | C23 | C27 | H47 | 177.3° | 179.2° |
| C25 | C24 | O4 | H41 | 117.4° | 120.0° |
| C24 | C25 | C26 | H43 | 115.4° | 120.0° |
| C24 | C25 | C21 | H35 | 81.6° | 60.0° |
| C25 | C24 | C23 | H39 | 69.6° | 57.8° |
| C24 | C25 | C26 | H44 | 51.6° | 175.0° |
| C24 | C25 | C26 | H45 | 68.4° | 55.0° |
| C24 | C25 | C26 | H46 | 171.6° | 65.0° |
| C25 | C24 | O4 | H42 | 54.0° | 60.0° |
| O4 | C24 | C25 | C26 | 70.1° | 58.5° |
| O4 | C24 | C23 | H39 | 51.3° | 62.3° |
| O4 | C24 | C25 | H43 | 174.5° | 178.5° |
| C26 | C25 | C21 | H35 | 43.8° | 60.0° |
| C26 | C25 | C24 | H41 | 171.7° | 178.5° |
| C25 | C26 | H44 | H45 | 120.0° | 120.0° |
| C25 | C26 | H44 | H46 | 120.0° | 120.0° |
| C25 | C26 | H45 | H46 | 120.0° | 120.0° |
| C27 | C28 | H50 | H48 | 120.0° | 120.0° |
| C27 | C28 | H50 | H49 | 120.0° | 120.0° |
| C27 | C28 | H48 | H49 | 120.0° | 120.0° |
| C28 | C27 | C19 | H31 | 73.1° | 55.8° |
| C28 | C27 | C23 | H39 | 178.7° | 179.2° |
| H24 | C15 | C16 | H26 | 53.4° | 59.9° |
| H24 | C15 | C6 | H12 | 56.6° | 60.0° |
| H24 | C15 | C6 | H11 | 175.3° | 179.9° |
| H24 | C15 | O1 | H25 | 61.3° | 60.0° |
| H34 | C20 | H32 | H33 | 120.0° | 120.0° |
| H34 | C20 | C21 | H35 | 61.2° | 180.0° |
| H32 | C20 | C21 | H35 | 58.8° | 60.0° |
| H33 | C20 | C21 | H35 | 178.8° | 60.0° |
| H35 | C21 | C22 | H38 | 63.5° | 60.0° |
| H35 | C21 | C22 | H36 | 56.5° | 180.0° |
| H35 | C21 | C22 | H37 | 176.5° | 60.0° |
| H35 | C21 | C25 | H43 | 160.2° | 180.0° |
| H38 | C22 | H36 | H37 | 119.9° | 120.0° |
| H41 | C24 | C23 | H39 | 168.8° | 177.7° |
| H41 | C24 | C25 | H43 | 56.2° | 61.5° |
| H41 | C24 | O4 | H42 | 63.4° | 180.0° |
| H50 | C28 | H48 | H49 | 119.9° | 120.0° |
| H50 | C28 | C27 | H47 | 63.6° | 64.6° |
| H48 | C28 | C27 | H47 | 176.4° | 55.4° |
| H49 | C28 | C27 | H47 | 56.4° | 175.4° |
| H18 | C11 | H19 | H17 | 120.0° | 120.0° |
| H20 | C12 | C1 | H1 | 167.0° | 166.1° |
| H20 | C12 | C1 | H2 | 45.0° | 42.7° |
| H20 | C12 | C8 | H15 | 175.4° | 175.7° |
| H23 | C14 | H21 | H22 | 120.0° | 119.9° |
| H26 | C16 | C7 | H14 | 66.1° | 60.0° |
| H26 | C16 | C7 | H13 | 53.5° | 60.0° |
| H26 | C16 | O2 | H27 | 61.8° | 60.1° |
| H31 | C19 | C27 | H47 | 170.4° | 175.8° |
| H31 | C19 | C4 | H8 | 146.0° | 3.7° |
| H31 | C19 | C4 | H7 | 25.2° | 125.2° |
| H47 | C27 | C23 | H39 | 63.8° | 60.8° |
| H1 | C1 | C4 | H8 | 12.1° | 146.4° |
| H1 | C1 | C4 | H7 | 132.8° | 24.9° |
| H2 | C1 | C4 | H8 | 109.9° | 23.0° |
| H2 | C1 | C4 | H7 | 10.9° | 98.5° |
| H28 | C17 | C18 | H29 | 64.3° | 179.9° |
| H28 | C17 | C18 | H30 | 175.9° | 60.0° |
| H28 | C17 | C7 | H14 | 60.8° | 179.9° |
| H28 | C17 | C7 | H13 | 179.6° | 60.0° |
| H29 | C18 | C2 | H4 | 56.6° | 59.8° |
| H29 | C18 | C2 | H3 | 62.7° | 179.8° |
| H30 | C18 | C2 | H4 | 176.3° | 60.6° |
| H30 | C18 | C2 | H3 | 57.1° | 59.4° |
| H4 | C2 | C8 | H15 | 173.6° | 58.8° |
| H3 | C2 | C8 | H15 | 54.4° | 178.9° |
| H39 | C23 | O3 | H40 | 62.0° | 180.0° |
| H43 | C25 | C26 | H44 | 63.8° | 55.0° |
| H43 | C25 | C26 | H45 | 176.2° | 65.0° |
| H43 | C25 | C26 | H46 | 56.2° | 175.1° |
| H44 | C26 | H45 | H46 | 120.0° | 120.0° |
| H5 | C3 | C5 | H10 | 56.2° | 56.4° |
| H5 | C3 | C5 | H9 | 62.7° | 62.6° |
| H6 | C3 | C5 | H10 | 175.4° | 177.4° |
| H6 | C3 | C5 | H9 | 56.5° | 58.5° |
| H10 | C5 | C9 | H16 | 179.7° | 174.4° |
| H9 | C5 | C9 | H16 | 61.4° | 55.4° |
| H15 | C8 | C9 | H16 | 177.8° | 178.1° |
