XLK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.21Å | 1.21Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| O3 | C23 | sing | 1.43Å | 1.45Å | |
| O2 | C16 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.55Å | 1.56Å | |
| C7 | C24 | sing | 1.53Å | 1.56Å | |
| C8 | C9 | sing | 1.55Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.52Å | 1.54Å | |
| C23 | C22 | sing | 1.54Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C10 | C24 | sing | 1.55Å | 1.54Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.52Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.52Å | 1.53Å | |
| C21 | C11 | sing | 1.54Å | 1.55Å | |
| C21 | C19 | sing | 1.53Å | 1.56Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C14 | C19 | sing | 1.53Å | 1.56Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | 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 | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | 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 | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| O2 | H41 | sing | 0.97Å | 0.95Å | |
| O3 | H42 | sing | 0.97Å | 0.95Å | |
| C1 | F1 | sing | 1.40Å | 1.75Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C3 | 124.6° | 120.1° |
| O1 | C2 | C1 | 120.4° | 120.0° |
| C3 | C2 | C1 | 114.7° | 120.0° |
| C2 | C3 | C4 | 109.2° | 109.4° |
| C2 | C3 | H19 | 109.6° | 109.5° |
| C2 | C3 | H20 | 109.6° | 109.5° |
| C2 | C1 | H21 | 109.5° | 109.5° |
| C2 | C1 | H22 | 109.4° | 109.4° |
| C2 | C1 | F1 | 109.5° | 109.5° |
| C3 | C4 | C5 | 113.9° | 109.4° |
| C3 | C4 | H1 | 108.4° | 109.5° |
| C3 | C4 | H2 | 108.3° | 109.5° |
| C4 | C3 | H19 | 109.5° | 109.4° |
| C4 | C3 | H20 | 109.5° | 109.5° |
| C4 | C5 | C6 | 110.3° | 109.5° |
| C4 | C5 | C7 | 107.8° | 109.5° |
| C5 | C4 | H1 | 108.4° | 109.5° |
| C5 | C4 | H2 | 108.4° | 109.5° |
| C4 | C5 | H4 | 108.5° | 109.5° |
| O3 | C23 | C24 | 111.1° | 109.9° |
| O3 | C23 | C22 | 109.9° | 109.9° |
| O3 | C23 | H37 | 109.1° | 109.9° |
| C23 | O3 | H42 | 109.5° | 114.1° |
| O2 | C16 | C17 | 108.8° | 109.5° |
| O2 | C16 | C15 | 108.6° | 109.5° |
| O2 | C16 | H26 | 110.2° | 109.4° |
| C16 | O2 | H41 | 109.5° | 114.1° |
| C6 | C5 | C7 | 113.2° | 109.5° |
| C6 | C5 | H4 | 108.5° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C5 | C6 | H6 | 109.4° | 109.4° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C5 | C7 | C8 | 111.5° | 110.3° |
| C5 | C7 | C24 | 120.4° | 110.3° |
| C7 | C5 | H4 | 108.4° | 109.5° |
| C5 | C7 | H9 | 107.1° | 110.2° |
| C8 | C7 | C24 | 103.4° | 105.3° |
| C7 | C8 | C9 | 106.7° | 106.4° |
| C8 | C7 | H9 | 106.8° | 110.4° |
| C7 | C8 | H10 | 110.2° | 110.1° |
| C7 | C8 | H11 | 110.2° | 110.0° |
| C7 | C24 | C23 | 118.4° | 116.6° |
| C7 | C24 | C10 | 99.6° | 103.3° |
| C7 | C24 | C25 | 109.8° | 109.7° |
| C24 | C7 | H9 | 106.9° | 110.2° |
| C8 | C9 | C10 | 104.2° | 103.0° |
| C9 | C8 | H10 | 110.2° | 110.1° |
| C9 | C8 | H11 | 110.2° | 110.1° |
| C8 | C9 | H12 | 110.8° | 110.8° |
| C8 | C9 | H13 | 110.8° | 110.7° |
| C17 | C16 | C15 | 110.8° | 109.5° |
| C16 | C17 | C18 | 111.7° | 109.5° |
| C17 | C16 | H26 | 109.2° | 109.5° |
| C16 | C17 | H27 | 108.9° | 109.5° |
| C16 | C17 | H28 | 108.9° | 109.4° |
| C16 | C15 | C14 | 113.1° | 109.5° |
| C16 | C15 | H24 | 108.5° | 109.4° |
| C16 | C15 | H25 | 108.5° | 109.5° |
| C15 | C16 | H26 | 109.2° | 109.4° |
| C24 | C23 | C22 | 110.9° | 107.3° |
| C23 | C24 | C10 | 107.2° | 107.5° |
| C23 | C24 | C25 | 109.2° | 109.7° |
| C24 | C23 | H37 | 107.9° | 109.9° |
| C23 | C22 | C21 | 114.4° | 111.4° |
| C23 | C22 | H35 | 108.2° | 109.1° |
| C23 | C22 | H36 | 108.2° | 109.0° |
| C22 | C23 | H37 | 107.9° | 109.9° |
| C17 | C18 | C19 | 113.7° | 109.4° |
| C18 | C17 | H27 | 108.9° | 109.5° |
| C18 | C17 | H28 | 108.9° | 109.4° |
| C17 | C18 | H29 | 108.4° | 109.5° |
| C17 | C18 | H30 | 108.4° | 109.5° |
| C24 | C10 | C9 | 104.6° | 101.7° |
| C24 | C10 | C11 | 113.8° | 107.0° |
| C10 | C24 | C25 | 112.4° | 109.7° |
| C24 | C10 | H14 | 106.7° | 110.5° |
| C9 | C10 | C11 | 117.4° | 115.9° |
| C10 | C9 | H12 | 110.8° | 110.7° |
| C10 | C9 | H13 | 110.8° | 110.9° |
| C9 | C10 | H14 | 106.7° | 110.4° |
| C10 | C11 | C21 | 109.3° | 107.3° |
| C10 | C11 | C12 | 112.2° | 111.2° |
| C10 | C11 | H8 | 108.0° | 109.8° |
| C11 | C10 | H14 | 106.9° | 110.9° |
| C24 | C25 | H38 | 109.5° | 109.4° |
| C24 | C25 | H39 | 109.5° | 109.4° |
| C24 | C25 | H40 | 109.5° | 109.5° |
| C15 | C14 | C19 | 111.9° | 109.4° |
| C15 | C14 | C13 | 109.9° | 109.4° |
| C15 | C14 | H3 | 107.6° | 109.4° |
| C14 | C15 | H24 | 108.6° | 109.5° |
| C14 | C15 | H25 | 108.6° | 109.5° |
| C22 | C21 | C11 | 110.8° | 111.6° |
| C22 | C21 | C19 | 113.8° | 109.3° |
| C22 | C21 | H34 | 106.8° | 108.3° |
| C21 | C22 | H35 | 108.2° | 109.1° |
| C21 | C22 | H36 | 108.2° | 109.1° |
| C11 | C21 | C19 | 111.9° | 109.2° |
| C21 | C11 | C12 | 111.3° | 109.1° |
| C21 | C11 | H8 | 107.8° | 109.8° |
| C11 | C21 | H34 | 106.6° | 108.9° |
| C21 | C19 | C18 | 113.0° | 109.5° |
| C21 | C19 | C14 | 107.6° | 109.3° |
| C21 | C19 | C20 | 109.9° | 109.6° |
| C19 | C21 | H34 | 106.5° | 109.7° |
| C11 | C12 | C13 | 111.1° | 109.4° |
| C12 | C11 | H8 | 108.0° | 109.7° |
| C11 | C12 | H15 | 109.1° | 109.5° |
| C11 | C12 | H16 | 109.1° | 109.4° |
| C12 | C13 | C14 | 109.7° | 109.6° |
| C13 | C12 | H15 | 109.1° | 109.5° |
| C13 | C12 | H16 | 109.1° | 109.5° |
| C12 | C13 | H17 | 109.4° | 109.5° |
| C12 | C13 | H18 | 109.4° | 109.4° |
| C18 | C19 | C14 | 106.7° | 109.5° |
| C18 | C19 | C20 | 106.7° | 109.5° |
| C19 | C18 | H29 | 108.4° | 109.5° |
| C19 | C18 | H30 | 108.4° | 109.5° |
| C19 | C14 | C13 | 112.3° | 109.5° |
| C14 | C19 | C20 | 112.9° | 109.5° |
| C19 | C14 | H3 | 107.3° | 109.5° |
| C13 | C14 | H3 | 107.6° | 109.5° |
| C14 | C13 | H17 | 109.5° | 109.5° |
| C14 | C13 | H18 | 109.4° | 109.5° |
| C19 | C20 | H31 | 109.5° | 109.5° |
| C19 | C20 | H32 | 109.5° | 109.5° |
| C19 | C20 | H33 | 109.4° | 109.5° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H5 | C6 | H7 | 109.4° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 110.1° |
| H12 | C9 | H13 | 109.5° | 110.6° |
| H15 | C12 | H16 | 109.5° | 109.4° |
| H17 | C13 | H18 | 109.5° | 109.4° |
| H19 | C3 | H20 | 109.4° | 109.6° |
| H21 | C1 | H22 | 109.5° | 109.5° |
| H21 | C1 | F1 | 109.5° | 109.5° |
| H22 | C1 | F1 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| H29 | C18 | H30 | 109.4° | 109.5° |
| H31 | C20 | H32 | 109.5° | 109.4° |
| H31 | C20 | H33 | 109.5° | 109.5° |
| H32 | C20 | H33 | 109.5° | 109.4° |
| H35 | C22 | H36 | 109.5° | 109.1° |
| H38 | C25 | H39 | 109.4° | 109.5° |
| H38 | C25 | H40 | 109.5° | 109.5° |
| H39 | C25 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | C1 | 174.2° | 180.0° |
| O1 | C2 | C3 | C4 | 56.0° | 0.0° |
| O1 | C2 | C3 | H19 | 176.0° | 119.9° |
| O1 | C2 | C3 | H20 | 63.9° | 119.9° |
| O1 | C2 | C1 | H21 | 55.3° | 120.0° |
| O1 | C2 | C1 | H22 | 175.2° | 120.0° |
| O1 | C2 | C1 | F1 | 64.8° | 0.0° |
| C2 | C3 | C4 | H19 | 120.0° | 119.9° |
| C2 | C3 | C4 | H20 | 120.0° | 120.0° |
| C2 | C3 | C4 | C5 | 161.2° | 180.0° |
| C2 | C3 | C4 | H1 | 78.1° | 60.0° |
| C2 | C3 | C4 | H2 | 40.5° | 60.0° |
| C2 | C3 | H19 | H20 | 120.2° | 120.1° |
| C3 | C2 | C1 | H21 | 130.3° | 60.0° |
| C3 | C2 | C1 | H22 | 10.3° | 60.0° |
| C3 | C2 | C1 | F1 | 109.7° | 179.9° |
| C1 | C2 | C3 | C4 | 118.2° | 180.0° |
| C1 | C2 | C3 | H19 | 1.8° | 60.1° |
| C1 | C2 | C3 | H20 | 121.9° | 60.0° |
| C2 | C1 | H21 | H22 | 119.9° | 120.0° |
| C2 | C1 | H21 | F1 | 120.1° | 120.0° |
| C2 | C1 | H22 | F1 | 120.1° | 120.0° |
| C3 | C4 | C5 | H1 | 120.7° | 120.0° |
| C3 | C4 | C5 | H2 | 120.7° | 120.0° |
| C3 | C4 | C5 | C6 | 41.6° | 65.0° |
| C3 | C4 | C5 | C7 | 165.7° | 175.0° |
| C3 | C4 | H1 | H2 | 118.0° | 120.0° |
| C3 | C4 | C5 | H4 | 77.1° | 55.0° |
| C4 | C3 | H19 | H20 | 120.1° | 120.0° |
| C4 | C5 | C6 | C7 | 120.9° | 120.0° |
| C4 | C5 | C6 | H4 | 118.7° | 120.0° |
| C4 | C5 | C7 | H4 | 117.2° | 120.0° |
| C4 | C5 | C7 | C8 | 53.7° | 61.5° |
| C4 | C5 | C7 | C24 | 175.0° | 177.4° |
| C5 | C4 | H1 | H2 | 118.0° | 120.0° |
| C4 | C5 | C6 | H5 | 180.0° | 60.0° |
| C4 | C5 | C6 | H6 | 60.0° | 180.0° |
| C4 | C5 | C6 | H7 | 60.0° | 60.0° |
| C4 | C5 | C7 | H9 | 62.8° | 60.6° |
| C5 | C4 | C3 | H19 | 41.2° | 60.1° |
| C5 | C4 | C3 | H20 | 78.8° | 60.0° |
| O3 | C23 | C24 | C7 | 44.7° | 60.3° |
| O3 | C23 | C24 | C22 | 122.5° | 119.4° |
| O3 | C23 | C24 | H37 | 119.5° | 121.1° |
| O3 | C23 | C22 | H37 | 118.8° | 121.1° |
| O3 | C23 | C24 | C10 | 66.8° | 55.0° |
| O3 | C23 | C24 | C25 | 171.2° | 174.3° |
| O3 | C23 | C22 | C21 | 68.9° | 62.1° |
| O3 | C23 | C22 | H35 | 170.4° | 58.5° |
| O3 | C23 | C22 | H36 | 51.8° | 177.5° |
| O2 | C16 | C17 | C15 | 119.4° | 120.0° |
| O2 | C16 | C17 | H26 | 120.3° | 120.0° |
| O2 | C16 | C15 | H26 | 120.2° | 120.0° |
| O2 | C16 | C17 | C18 | 171.8° | 180.0° |
| O2 | C16 | C15 | C14 | 173.2° | 179.9° |
| O2 | C16 | C15 | H24 | 66.2° | 60.0° |
| O2 | C16 | C15 | H25 | 52.7° | 60.0° |
| O2 | C16 | C17 | H27 | 51.5° | 59.9° |
| O2 | C16 | C17 | H28 | 67.9° | 60.1° |
| C6 | C5 | C7 | H4 | 120.5° | 120.0° |
| C6 | C5 | C7 | C8 | 175.9° | 178.6° |
| C6 | C5 | C7 | C24 | 62.7° | 62.6° |
| C6 | C5 | C4 | H1 | 79.1° | 175.0° |
| C6 | C5 | C4 | H2 | 162.2° | 55.0° |
| 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 | H9 | 59.4° | 59.3° |
| C5 | C7 | C8 | C24 | 130.8° | 119.0° |
| C5 | C7 | C8 | H9 | 116.7° | 122.1° |
| C5 | C7 | C24 | H9 | 122.2° | 122.0° |
| C5 | C7 | C8 | C9 | 153.2° | 122.4° |
| C5 | C7 | C24 | C23 | 78.0° | 94.2° |
| C5 | C7 | C24 | C10 | 166.4° | 148.2° |
| C5 | C7 | C24 | C25 | 48.3° | 31.2° |
| C7 | C5 | C4 | H1 | 45.0° | 55.0° |
| C7 | C5 | C4 | H2 | 73.7° | 65.0° |
| C7 | C5 | C6 | H5 | 59.1° | 60.0° |
| C7 | C5 | C6 | H6 | 179.1° | 60.0° |
| C7 | C5 | C6 | H7 | 60.9° | 180.0° |
| C5 | C7 | C8 | H10 | 87.2° | 118.3° |
| C5 | C7 | C8 | H11 | 33.7° | 3.2° |
| C8 | C7 | C24 | H9 | 112.5° | 119.0° |
| C7 | C8 | C9 | H10 | 119.6° | 119.3° |
| C7 | C8 | C9 | H11 | 119.6° | 119.2° |
| C8 | C7 | C24 | C23 | 156.8° | 146.8° |
| C8 | C7 | C24 | C10 | 41.1° | 29.2° |
| C7 | C8 | C9 | C10 | 5.7° | 24.0° |
| C8 | C7 | C24 | C25 | 77.0° | 87.8° |
| C8 | C7 | C5 | H4 | 63.6° | 58.6° |
| C7 | C8 | H10 | H11 | 121.3° | 121.5° |
| C7 | C8 | C9 | H12 | 124.8° | 142.4° |
| C7 | C8 | C9 | H13 | 113.5° | 94.6° |
| C24 | C7 | C8 | C9 | 22.5° | 3.4° |
| C7 | C24 | C23 | C10 | 111.5° | 115.3° |
| C7 | C24 | C23 | C25 | 126.5° | 125.5° |
| C7 | C24 | C23 | C22 | 167.2° | 179.7° |
| C7 | C24 | C10 | C25 | 116.1° | 116.9° |
| C7 | C24 | C10 | C9 | 45.8° | 44.3° |
| C7 | C24 | C10 | C11 | 175.3° | 166.3° |
| C24 | C7 | C5 | H4 | 57.8° | 57.4° |
| C24 | C7 | C8 | H10 | 142.0° | 122.7° |
| C24 | C7 | C8 | H11 | 97.1° | 115.8° |
| C7 | C24 | C10 | H14 | 67.1° | 72.9° |
| C7 | C24 | C23 | H37 | 74.8° | 60.8° |
| C7 | C24 | C25 | H38 | 180.0° | 61.5° |
| C7 | C24 | C25 | H39 | 60.0° | 178.5° |
| C7 | C24 | C25 | H40 | 60.0° | 58.6° |
| C8 | C9 | C10 | C24 | 32.4° | 41.6° |
| C8 | C9 | C10 | H12 | 119.2° | 118.4° |
| C8 | C9 | C10 | H13 | 119.1° | 118.5° |
| C8 | C9 | C10 | C11 | 159.7° | 157.2° |
| C9 | C8 | C7 | H9 | 90.1° | 115.5° |
| C9 | C8 | H10 | H11 | 121.3° | 121.6° |
| C8 | C9 | H12 | H13 | 122.4° | 123.2° |
| C8 | C9 | C10 | H14 | 80.5° | 75.7° |
| C17 | C16 | C15 | H26 | 120.3° | 120.0° |
| C16 | C17 | C18 | H27 | 120.3° | 120.0° |
| C16 | C17 | C18 | H28 | 120.3° | 119.9° |
| C17 | C16 | C15 | C14 | 53.8° | 59.9° |
| C16 | C17 | C18 | C19 | 56.3° | 60.1° |
| C17 | C16 | C15 | H24 | 174.3° | 60.0° |
| C17 | C16 | C15 | H25 | 66.8° | 180.0° |
| C16 | C17 | H27 | H28 | 119.0° | 120.0° |
| C16 | C17 | C18 | H29 | 176.9° | 180.0° |
| C16 | C17 | C18 | H30 | 64.4° | 59.9° |
| C17 | C16 | O2 | H41 | 180.0° | 60.0° |
| C15 | C16 | C17 | C18 | 52.5° | 60.0° |
| C16 | C15 | C14 | H24 | 120.5° | 120.0° |
| C16 | C15 | C14 | H25 | 120.5° | 120.0° |
| C16 | C15 | C14 | C19 | 56.9° | 60.0° |
| C16 | C15 | C14 | C13 | 177.7° | 180.0° |
| C16 | C15 | C14 | H3 | 60.8° | 60.0° |
| C16 | C15 | H24 | H25 | 118.3° | 120.0° |
| C15 | C16 | C17 | H27 | 67.9° | 60.1° |
| C15 | C16 | C17 | H28 | 172.8° | 179.9° |
| C15 | C16 | O2 | H41 | 59.3° | 180.0° |
| C24 | C23 | C22 | H37 | 118.0° | 119.5° |
| C23 | C24 | C10 | C25 | 120.0° | 119.2° |
| C23 | C24 | C10 | C9 | 169.6° | 168.2° |
| C23 | C24 | C10 | C11 | 60.8° | 69.9° |
| C24 | C23 | C22 | C21 | 54.3° | 57.4° |
| C23 | C24 | C7 | H9 | 44.3° | 27.7° |
| C23 | C24 | C10 | H14 | 56.7° | 51.0° |
| C24 | C23 | C22 | H35 | 66.4° | 177.9° |
| C24 | C23 | C22 | H36 | 175.1° | 63.0° |
| C23 | C24 | C25 | H38 | 48.7° | 67.9° |
| C23 | C24 | C25 | H39 | 168.7° | 52.1° |
| C23 | C24 | C25 | H40 | 71.3° | 172.1° |
| C24 | C23 | O3 | H42 | 180.0° | 180.0° |
| C22 | C23 | C24 | C10 | 55.7° | 64.4° |
| C22 | C23 | C24 | C25 | 66.3° | 54.8° |
| C23 | C22 | C21 | H35 | 120.7° | 120.5° |
| C23 | C22 | C21 | H36 | 120.7° | 120.4° |
| C23 | C22 | C21 | C11 | 51.7° | 54.7° |
| C23 | C22 | C21 | C19 | 178.9° | 175.6° |
| C23 | C22 | C21 | H34 | 64.0° | 65.1° |
| C23 | C22 | H35 | H36 | 117.7° | 119.0° |
| C22 | C23 | O3 | H42 | 56.9° | 62.1° |
| C17 | C18 | C19 | C21 | 62.1° | 59.7° |
| C17 | C18 | C19 | H29 | 120.6° | 120.0° |
| C17 | C18 | C19 | H30 | 120.7° | 120.0° |
| C17 | C18 | C19 | C14 | 56.0° | 60.2° |
| C17 | C18 | C19 | C20 | 177.0° | 179.8° |
| C18 | C17 | C16 | H26 | 67.8° | 60.0° |
| C18 | C17 | H27 | H28 | 119.0° | 120.0° |
| C17 | C18 | H29 | H30 | 118.1° | 120.1° |
| C24 | C10 | C9 | C11 | 127.3° | 115.6° |
| C24 | C10 | C9 | H14 | 112.8° | 117.3° |
| C24 | C10 | C11 | H14 | 117.5° | 120.6° |
| C24 | C10 | C11 | C21 | 59.4° | 64.4° |
| C24 | C10 | C11 | C12 | 176.5° | 176.4° |
| C24 | C10 | C11 | H8 | 57.6° | 54.8° |
| C10 | C24 | C7 | H9 | 71.4° | 89.8° |
| C24 | C10 | C9 | H12 | 151.5° | 160.0° |
| C24 | C10 | C9 | H13 | 86.8° | 76.9° |
| C10 | C24 | C23 | H37 | 173.7° | 176.1° |
| C10 | C24 | C25 | H38 | 70.1° | 174.3° |
| C10 | C24 | C25 | H39 | 49.9° | 65.7° |
| C10 | C24 | C25 | H40 | 169.9° | 54.3° |
| C9 | C10 | C11 | H14 | 119.8° | 126.9° |
| C9 | C10 | C24 | C25 | 70.4° | 72.6° |
| C9 | C10 | C11 | C21 | 177.8° | 176.9° |
| C9 | C10 | C11 | C12 | 53.8° | 63.9° |
| C9 | C10 | C11 | H8 | 65.2° | 57.7° |
| C10 | C9 | C8 | H10 | 113.9° | 95.3° |
| C10 | C9 | C8 | H11 | 125.2° | 143.1° |
| C10 | C9 | H12 | H13 | 122.4° | 123.3° |
| C11 | C10 | C24 | C25 | 59.2° | 49.3° |
| C10 | C11 | C21 | C22 | 52.1° | 57.8° |
| C10 | C11 | C21 | C12 | 124.6° | 120.5° |
| C10 | C11 | C21 | H8 | 117.2° | 119.2° |
| C10 | C11 | C21 | C19 | 179.8° | 178.7° |
| C10 | C11 | C12 | H8 | 119.0° | 121.6° |
| C10 | C11 | C12 | C13 | 178.7° | 178.5° |
| C11 | C10 | C9 | H12 | 81.2° | 84.4° |
| C11 | C10 | C9 | H13 | 40.6° | 38.7° |
| C10 | C11 | C12 | H15 | 58.5° | 58.5° |
| C10 | C11 | C12 | H16 | 61.0° | 61.4° |
| C10 | C11 | C21 | H34 | 63.7° | 61.6° |
| C25 | C24 | C7 | H9 | 170.5° | 153.2° |
| C25 | C24 | C10 | H14 | 176.8° | 170.2° |
| C25 | C24 | C23 | H37 | 51.7° | 64.7° |
| C24 | C25 | H38 | H39 | 120.0° | 120.0° |
| C24 | C25 | H38 | H40 | 120.0° | 120.0° |
| C24 | C25 | H39 | H40 | 120.0° | 120.0° |
| C15 | C14 | C19 | C21 | 66.2° | 59.8° |
| C15 | C14 | C13 | C12 | 65.0° | 60.2° |
| C15 | C14 | C19 | C18 | 55.5° | 60.1° |
| C15 | C14 | C19 | C13 | 124.2° | 119.9° |
| C15 | C14 | C19 | H3 | 117.8° | 119.9° |
| C15 | C14 | C13 | H3 | 116.9° | 120.0° |
| C15 | C14 | C19 | C20 | 172.4° | 179.9° |
| C15 | C14 | C13 | H17 | 55.0° | 179.8° |
| C15 | C14 | C13 | H18 | 174.9° | 59.8° |
| C14 | C15 | H24 | H25 | 118.4° | 120.0° |
| C14 | C15 | C16 | H26 | 66.5° | 60.1° |
| C22 | C21 | C11 | C19 | 128.1° | 120.9° |
| C22 | C21 | C11 | H34 | 115.8° | 119.4° |
| C22 | C21 | C19 | H34 | 117.3° | 118.5° |
| C22 | C21 | C11 | C12 | 176.6° | 178.4° |
| C22 | C21 | C19 | C18 | 61.0° | 57.2° |
| C22 | C21 | C19 | C14 | 178.6° | 177.1° |
| C22 | C21 | C19 | C20 | 58.0° | 62.9° |
| C22 | C21 | C11 | H8 | 65.1° | 61.4° |
| C21 | C22 | H35 | H36 | 117.8° | 119.1° |
| C21 | C22 | C23 | H37 | 172.3° | 176.9° |
| C11 | C21 | C19 | H34 | 116.1° | 119.2° |
| C21 | C11 | C12 | H8 | 118.1° | 120.2° |
| C21 | C11 | C12 | C13 | 55.8° | 60.4° |
| C11 | C21 | C19 | C18 | 172.4° | 179.4° |
| C11 | C21 | C19 | C14 | 54.8° | 60.6° |
| C11 | C21 | C19 | C20 | 68.5° | 59.3° |
| C21 | C11 | C10 | H14 | 58.1° | 56.1° |
| C21 | C11 | C12 | H15 | 64.4° | 59.6° |
| C21 | C11 | C12 | H16 | 176.0° | 179.6° |
| C11 | C21 | C22 | H35 | 69.0° | 175.2° |
| C11 | C21 | C22 | H36 | 172.5° | 65.6° |
| C19 | C21 | C11 | C12 | 55.2° | 60.8° |
| C21 | C19 | C18 | C14 | 118.1° | 119.8° |
| C21 | C19 | C18 | C20 | 120.9° | 120.2° |
| C21 | C19 | C14 | C20 | 121.5° | 120.1° |
| C21 | C19 | C14 | C13 | 58.0° | 60.1° |
| C21 | C19 | C14 | H3 | 176.0° | 179.7° |
| C19 | C21 | C11 | H8 | 63.0° | 59.5° |
| C21 | C19 | C18 | H29 | 58.5° | 60.3° |
| C21 | C19 | C18 | H30 | 177.2° | 179.7° |
| C21 | C19 | C20 | H31 | 180.0° | 59.9° |
| C21 | C19 | C20 | H32 | 60.0° | 60.1° |
| C21 | C19 | C20 | H33 | 60.0° | 180.0° |
| C19 | C21 | C22 | H35 | 58.2° | 63.9° |
| C19 | C21 | C22 | H36 | 60.4° | 55.2° |
| C11 | C12 | C13 | H15 | 120.3° | 120.0° |
| C11 | C12 | C13 | H16 | 120.2° | 120.0° |
| C11 | C12 | C13 | C14 | 57.8° | 60.0° |
| C12 | C11 | C10 | H14 | 66.0° | 63.0° |
| C11 | C12 | H15 | H16 | 119.3° | 119.9° |
| C11 | C12 | C13 | H17 | 177.8° | 60.1° |
| C11 | C12 | C13 | H18 | 62.2° | 179.9° |
| C12 | C11 | C21 | H34 | 60.8° | 58.9° |
| C12 | C13 | C14 | C19 | 60.2° | 59.7° |
| C12 | C13 | C14 | H17 | 120.0° | 120.0° |
| C12 | C13 | C14 | H18 | 120.0° | 120.0° |
| C12 | C13 | C14 | H3 | 178.1° | 179.9° |
| C13 | C12 | C11 | H8 | 62.3° | 59.9° |
| C13 | C12 | H15 | H16 | 119.3° | 120.1° |
| C12 | C13 | H17 | H18 | 119.9° | 119.9° |
| C18 | C19 | C14 | C20 | 116.9° | 120.0° |
| C18 | C19 | C14 | C13 | 179.6° | 179.9° |
| C18 | C19 | C14 | H3 | 62.3° | 59.8° |
| C19 | C18 | C17 | H27 | 64.1° | 60.0° |
| C19 | C18 | C17 | H28 | 176.6° | 180.0° |
| C19 | C18 | H29 | H30 | 118.1° | 120.0° |
| C18 | C19 | C20 | H31 | 57.1° | 180.0° |
| C18 | C19 | C20 | H32 | 177.1° | 60.0° |
| C18 | C19 | C20 | H33 | 62.9° | 59.9° |
| C18 | C19 | C21 | H34 | 56.3° | 61.3° |
| C19 | C14 | C13 | H3 | 117.8° | 120.1° |
| C19 | C14 | C13 | H17 | 179.7° | 60.3° |
| C19 | C14 | C13 | H18 | 59.8° | 179.8° |
| C19 | C14 | C15 | H24 | 177.4° | 60.0° |
| C19 | C14 | C15 | H25 | 63.7° | 180.0° |
| C14 | C19 | C18 | H29 | 176.7° | 179.9° |
| C14 | C19 | C18 | H30 | 64.6° | 59.8° |
| C14 | C19 | C20 | H31 | 59.9° | 60.0° |
| C14 | C19 | C20 | H32 | 60.2° | 180.0° |
| C14 | C19 | C20 | H33 | 179.8° | 60.1° |
| C14 | C19 | C21 | H34 | 61.3° | 58.6° |
| C13 | C14 | C19 | C20 | 63.5° | 59.9° |
| C14 | C13 | C12 | H15 | 62.5° | 60.0° |
| C14 | C13 | C12 | H16 | 178.0° | 180.0° |
| C14 | C13 | H17 | H18 | 119.9° | 120.0° |
| C13 | C14 | C15 | H24 | 57.2° | 60.0° |
| C13 | C14 | C15 | H25 | 61.8° | 60.0° |
| C20 | C19 | C14 | H3 | 54.6° | 60.2° |
| C20 | C19 | C18 | H29 | 62.4° | 59.9° |
| C20 | C19 | C18 | H30 | 56.3° | 60.2° |
| C19 | C20 | H31 | H32 | 120.0° | 120.0° |
| C19 | C20 | H31 | H33 | 120.0° | 120.1° |
| C19 | C20 | H32 | H33 | 120.0° | 120.0° |
| C20 | C19 | C21 | H34 | 175.4° | 178.6° |
| H1 | C4 | C5 | H4 | 162.2° | 65.0° |
| H1 | C4 | C3 | H19 | 161.9° | 179.9° |
| H1 | C4 | C3 | H20 | 41.8° | 60.0° |
| H2 | C4 | C5 | H4 | 43.5° | 175.0° |
| H2 | C4 | C3 | H19 | 79.4° | 59.9° |
| H2 | C4 | C3 | H20 | 160.5° | NaN° |
| H3 | C14 | C13 | H17 | 61.9° | 59.8° |
| H3 | C14 | C13 | H18 | 58.0° | 60.1° |
| H3 | C14 | C15 | H24 | 59.8° | 179.9° |
| H3 | C14 | C15 | H25 | 178.7° | 60.0° |
| H4 | C5 | C6 | H5 | 61.3° | 180.0° |
| H4 | C5 | C6 | H6 | 58.7° | 60.0° |
| H4 | C5 | C6 | H7 | 178.7° | 60.0° |
| H4 | C5 | C7 | H9 | 179.9° | 179.3° |
| H5 | C6 | H6 | H7 | 120.0° | 120.0° |
| H8 | C11 | C10 | H14 | 175.1° | 175.4° |
| H8 | C11 | C12 | H15 | 177.5° | 179.9° |
| H8 | C11 | C12 | H16 | 57.9° | 60.2° |
| H8 | C11 | C21 | H34 | 179.1° | 179.2° |
| H9 | C7 | C8 | H10 | 29.5° | 3.7° |
| H9 | C7 | C8 | H11 | 150.3° | 125.2° |
| H10 | C8 | C9 | H12 | 5.2° | 23.1° |
| H10 | C8 | C9 | H13 | 126.9° | 146.1° |
| H11 | C8 | C9 | H12 | 115.6° | 98.5° |
| H11 | C8 | C9 | H13 | 6.1° | 24.6° |
| H12 | C9 | C10 | H14 | 38.7° | 42.8° |
| H13 | C9 | C10 | H14 | 160.4° | 165.9° |
| H15 | C12 | C13 | H17 | 57.6° | 179.9° |
| H15 | C12 | C13 | H18 | 177.5° | 60.1° |
| H16 | C12 | C13 | H17 | 61.9° | 59.9° |
| H16 | C12 | C13 | H18 | 58.0° | 59.9° |
| H21 | C1 | H22 | F1 | 120.0° | 120.0° |
| H24 | C15 | C16 | H26 | 54.0° | 179.9° |
| H25 | C15 | C16 | H26 | 172.9° | 60.0° |
| H26 | C16 | C17 | H27 | 171.8° | 179.9° |
| H26 | C16 | C17 | H28 | 52.5° | 59.9° |
| H26 | C16 | O2 | H41 | 60.3° | 60.0° |
| H27 | C17 | C18 | H29 | 56.6° | 60.0° |
| H27 | C17 | C18 | H30 | 175.3° | 179.9° |
| H28 | C17 | C18 | H29 | 62.8° | 60.0° |
| H28 | C17 | C18 | H30 | 55.9° | 60.0° |
| H31 | C20 | H32 | H33 | 120.0° | 120.0° |
| H34 | C21 | C22 | H35 | 175.3° | 55.4° |
| H34 | C21 | C22 | H36 | 56.8° | 174.6° |
| H35 | C22 | C23 | H37 | 51.6° | 62.6° |
| H36 | C22 | C23 | H37 | 67.0° | 56.4° |
| H37 | C23 | O3 | H42 | 61.2° | 58.9° |
| H38 | C25 | H39 | H40 | 120.0° | 120.1° |
