A1LXO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.40Å | |
| O2 | C9 | doub | 1.21Å | 1.25Å | |
| C21 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | O3 | sing | 1.34Å | 1.25Å | |
| C9 | C8 | sing | 1.51Å | 1.55Å | |
| C24 | O1 | sing | 1.36Å | 1.57Å | |
| C24 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | C25 | sing | 1.43Å | 1.59Å | |
| C12 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| N1 | C4 | sing | 1.40Å | 1.34Å | |
| C7 | C6 | sing | 1.51Å | 1.34Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C4 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | C10 | sing | 1.53Å | 1.59Å | |
| C3 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N2 | sing | 1.47Å | 1.51Å | |
| C27 | N2 | sing | 1.40Å | 1.31Å | |
| N2 | C11 | sing | 1.46Å | 1.51Å | |
| C11 | C13 | sing | 1.53Å | 1.57Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.08Å | 1.08Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C2 | H33 | sing | 1.08Å | 1.08Å | |
| C23 | H34 | sing | 1.08Å | 1.08Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C3 | H37 | sing | 1.08Å | 1.08Å | |
| O3 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 119.8° | 120.1° |
| C22 | C23 | C24 | 121.4° | 119.9° |
| C23 | C22 | H19 | 120.1° | 120.0° |
| C22 | C23 | H34 | 119.3° | 120.0° |
| C22 | C21 | C20 | 121.8° | 119.9° |
| C22 | C21 | C12 | 118.8° | 120.1° |
| C21 | C22 | H19 | 120.1° | 119.9° |
| C23 | C24 | O1 | 120.2° | 120.0° |
| C23 | C24 | C1 | 117.9° | 119.9° |
| C24 | C23 | H34 | 119.3° | 120.1° |
| C20 | C21 | C12 | 119.4° | 120.0° |
| C21 | C20 | H16 | 109.5° | 109.4° |
| C21 | C20 | H17 | 109.5° | 109.5° |
| C21 | C20 | H18 | 109.5° | 109.4° |
| O2 | C9 | O3 | 124.7° | 120.0° |
| O2 | C9 | C8 | 115.2° | 120.0° |
| C21 | C12 | C1 | 121.0° | 120.1° |
| C21 | C12 | H25 | 119.5° | 120.0° |
| O3 | C9 | C8 | 119.8° | 120.0° |
| C9 | O3 | H38 | 109.5° | 117.0° |
| C9 | C8 | C7 | 120.3° | 109.5° |
| C9 | C8 | H6 | 106.7° | 109.5° |
| C9 | C8 | H7 | 106.7° | 109.5° |
| O1 | C24 | C1 | 121.8° | 120.1° |
| C24 | O1 | C25 | 120.9° | 117.0° |
| C24 | C1 | C12 | 121.0° | 119.9° |
| C24 | C1 | H22 | 119.5° | 120.0° |
| O1 | C25 | C26 | 112.2° | 109.5° |
| O1 | C25 | H35 | 108.8° | 109.5° |
| O1 | C25 | H36 | 108.8° | 109.5° |
| C12 | C1 | H22 | 119.5° | 120.0° |
| C1 | C12 | H25 | 119.5° | 120.0° |
| C8 | C7 | C6 | 108.8° | 109.5° |
| C8 | C7 | H4 | 109.6° | 109.5° |
| C8 | C7 | H5 | 109.6° | 109.5° |
| C7 | C8 | H6 | 106.7° | 109.5° |
| C7 | C8 | H7 | 106.7° | 109.4° |
| N1 | C4 | C6 | 117.7° | 120.0° |
| N1 | C4 | C3 | 123.0° | 119.9° |
| C4 | N1 | H1 | 109.5° | 120.0° |
| C4 | N1 | H2 | 109.5° | 120.1° |
| C7 | C6 | C4 | 121.1° | 120.0° |
| C7 | C6 | C5 | 117.9° | 120.0° |
| C6 | C7 | H4 | 109.6° | 109.4° |
| C6 | C7 | H5 | 109.6° | 109.4° |
| C25 | C26 | C10 | 114.0° | 109.4° |
| C25 | C26 | H20 | 108.3° | 109.5° |
| C25 | C26 | H21 | 108.3° | 109.5° |
| C26 | C25 | H35 | 108.8° | 109.5° |
| C26 | C25 | H36 | 108.8° | 109.5° |
| C6 | C4 | C3 | 119.3° | 120.0° |
| C4 | C6 | C5 | 121.0° | 120.0° |
| C4 | C3 | C2 | 122.0° | 120.0° |
| C4 | C3 | H37 | 119.0° | 120.0° |
| C6 | C5 | C27 | 118.2° | 120.0° |
| C6 | C5 | H3 | 120.9° | 120.0° |
| C26 | C10 | N2 | 117.7° | 109.5° |
| C26 | C10 | H8 | 107.4° | 109.5° |
| C26 | C10 | H9 | 107.4° | 109.5° |
| C10 | C26 | H20 | 108.3° | 109.5° |
| C10 | C26 | H21 | 108.3° | 109.4° |
| C3 | C2 | C27 | 117.4° | 120.0° |
| C3 | C2 | H33 | 121.3° | 120.0° |
| C2 | C3 | H37 | 119.0° | 120.0° |
| C5 | C27 | C2 | 122.0° | 120.0° |
| C5 | C27 | N2 | 120.5° | 120.0° |
| C27 | C5 | H3 | 120.9° | 120.0° |
| C2 | C27 | N2 | 117.5° | 120.0° |
| C27 | C2 | H33 | 121.3° | 119.9° |
| C10 | N2 | C27 | 99.6° | 120.0° |
| C10 | N2 | C11 | 116.8° | 120.0° |
| N2 | C10 | H8 | 107.4° | 109.4° |
| N2 | C10 | H9 | 107.4° | 109.4° |
| C27 | N2 | C11 | 102.7° | 120.0° |
| N2 | C11 | C13 | 113.4° | 109.5° |
| N2 | C11 | H23 | 108.5° | 109.5° |
| N2 | C11 | H24 | 108.5° | 109.5° |
| C11 | C13 | C14 | 117.8° | 109.5° |
| C11 | C13 | H10 | 107.4° | 109.5° |
| C11 | C13 | H11 | 107.4° | 109.4° |
| C13 | C11 | H23 | 108.5° | 109.5° |
| C13 | C11 | H24 | 108.5° | 109.5° |
| C13 | C14 | C15 | 110.7° | 109.5° |
| C13 | C14 | C16 | 112.3° | 109.5° |
| C14 | C13 | H10 | 107.3° | 109.5° |
| C14 | C13 | H11 | 107.3° | 109.5° |
| C13 | C14 | H26 | 108.1° | 109.4° |
| C14 | C15 | C17 | 111.3° | 109.5° |
| C15 | C14 | C16 | 108.4° | 109.5° |
| C14 | C15 | H12 | 109.0° | 109.5° |
| C14 | C15 | H13 | 109.0° | 109.5° |
| C15 | C14 | H26 | 108.6° | 109.5° |
| C15 | C17 | C19 | 110.6° | 109.4° |
| C17 | C15 | H12 | 109.0° | 109.5° |
| C17 | C15 | H13 | 109.0° | 109.4° |
| C15 | C17 | H14 | 109.2° | 109.4° |
| C15 | C17 | H15 | 109.2° | 109.5° |
| C14 | C16 | C18 | 111.2° | 109.5° |
| C16 | C14 | H26 | 108.6° | 109.5° |
| C14 | C16 | H27 | 109.1° | 109.5° |
| C14 | C16 | H28 | 109.1° | 109.5° |
| C17 | C19 | C18 | 108.1° | 109.5° |
| C19 | C17 | H14 | 109.2° | 109.5° |
| C19 | C17 | H15 | 109.2° | 109.5° |
| C17 | C19 | H31 | 109.8° | 109.5° |
| C17 | C19 | H32 | 109.8° | 109.5° |
| C16 | C18 | C19 | 110.0° | 109.5° |
| C18 | C16 | H27 | 109.0° | 109.5° |
| C18 | C16 | H28 | 109.0° | 109.5° |
| C16 | C18 | H29 | 109.4° | 109.5° |
| C16 | C18 | H30 | 109.4° | 109.5° |
| C19 | C18 | H29 | 109.3° | 109.5° |
| C19 | C18 | H30 | 109.3° | 109.4° |
| C18 | C19 | H31 | 109.8° | 109.5° |
| C18 | C19 | H32 | 109.8° | 109.4° |
| H1 | N1 | H2 | 109.5° | 119.9° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.4° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.4° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.4° | 109.5° |
| H16 | C20 | H18 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H20 | C26 | H21 | 109.4° | 109.5° |
| H23 | C11 | H24 | 109.4° | 109.4° |
| H27 | C16 | H28 | 109.5° | 109.4° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| H31 | C19 | H32 | 109.5° | 109.5° |
| H35 | C25 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H19 | 180.0° | 180.0° |
| C22 | C23 | C24 | H34 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 179.8° | 180.0° |
| C23 | C22 | C21 | C12 | 0.6° | 0.2° |
| C22 | C23 | C24 | O1 | 179.3° | 180.0° |
| C22 | C23 | C24 | C1 | 1.2° | 0.3° |
| C21 | C22 | C23 | C24 | 1.2° | 0.0° |
| C22 | C21 | C20 | C12 | 179.6° | 179.8° |
| C22 | C21 | C12 | C1 | 0.0° | 0.2° |
| C22 | C21 | C20 | H16 | 90.2° | 89.8° |
| C22 | C21 | C20 | H17 | 149.8° | 30.3° |
| C22 | C21 | C20 | H18 | 29.8° | 150.3° |
| C22 | C21 | C12 | H25 | 180.0° | 179.7° |
| C21 | C22 | C23 | H34 | 178.8° | 179.9° |
| C23 | C24 | O1 | C1 | 178.1° | 179.7° |
| C23 | C24 | O1 | C25 | 177.9° | 0.3° |
| C23 | C24 | C1 | C12 | 0.6° | 0.3° |
| C24 | C23 | C22 | H19 | 178.8° | 180.0° |
| C23 | C24 | C1 | H22 | 179.4° | 179.7° |
| C20 | C21 | C12 | C1 | 179.6° | 180.0° |
| C21 | C20 | H16 | H17 | 120.0° | 120.0° |
| C21 | C20 | H16 | H18 | 120.0° | 119.9° |
| C21 | C20 | H17 | H18 | 120.0° | 119.9° |
| C20 | C21 | C22 | H19 | 0.2° | 0.0° |
| C20 | C21 | C12 | H25 | 0.4° | 0.1° |
| O2 | C9 | O3 | C8 | 174.5° | 179.9° |
| O2 | C9 | C8 | C7 | 153.5° | 0.1° |
| O2 | C9 | C8 | H6 | 31.9° | 120.0° |
| O2 | C9 | C8 | H7 | 85.0° | 120.0° |
| O2 | C9 | O3 | H38 | 0.0° | 0.1° |
| C21 | C12 | C1 | C24 | 0.0° | 0.1° |
| C21 | C12 | C1 | H25 | 180.0° | 179.9° |
| C12 | C21 | C20 | H16 | 90.2° | 90.0° |
| C12 | C21 | C20 | H17 | 29.8° | 150.0° |
| C12 | C21 | C20 | H18 | 149.8° | 30.0° |
| C12 | C21 | C22 | H19 | 179.4° | 179.7° |
| C21 | C12 | C1 | H22 | 180.0° | 180.0° |
| O3 | C9 | C8 | C7 | 31.5° | 180.0° |
| O3 | C9 | C8 | H6 | 153.0° | 60.0° |
| O3 | C9 | C8 | H7 | 90.0° | 60.1° |
| C9 | C8 | C7 | H6 | 121.6° | 120.1° |
| C9 | C8 | C7 | H7 | 121.5° | 120.0° |
| C9 | C8 | C7 | C6 | 56.9° | 180.0° |
| C9 | C8 | C7 | H4 | 63.0° | 60.0° |
| C9 | C8 | C7 | H5 | 176.8° | 60.0° |
| C9 | C8 | H6 | H7 | 115.1° | 120.0° |
| C8 | C9 | O3 | H38 | 174.5° | 180.0° |
| O1 | C24 | C1 | C12 | 178.7° | 180.0° |
| C24 | O1 | C25 | C26 | 130.4° | 180.0° |
| O1 | C24 | C1 | H22 | 1.3° | 0.0° |
| O1 | C24 | C23 | H34 | 0.7° | 0.1° |
| C24 | O1 | C25 | H35 | 109.2° | 60.0° |
| C24 | O1 | C25 | H36 | 10.0° | 60.0° |
| C1 | C24 | O1 | C25 | 4.0° | 180.0° |
| C24 | C1 | C12 | H22 | 180.0° | 179.9° |
| C24 | C1 | C12 | H25 | 180.0° | 179.9° |
| C1 | C24 | C23 | H34 | 178.9° | 179.8° |
| O1 | C25 | C26 | H35 | 120.4° | 120.0° |
| O1 | C25 | C26 | H36 | 120.4° | 120.0° |
| O1 | C25 | C26 | C10 | 175.1° | 180.0° |
| O1 | C25 | C26 | H20 | 64.2° | 60.0° |
| O1 | C25 | C26 | H21 | 54.4° | 60.0° |
| O1 | C25 | H35 | H36 | 118.7° | 120.0° |
| C8 | C7 | C6 | H4 | 119.9° | 120.0° |
| C8 | C7 | C6 | H5 | 119.9° | 120.0° |
| C8 | C7 | C6 | C4 | 124.9° | 80.0° |
| C8 | C7 | C6 | C5 | 55.1° | 100.0° |
| C8 | C7 | H4 | H5 | 120.3° | 120.1° |
| C7 | C8 | H6 | H7 | 115.1° | 119.9° |
| N1 | C4 | C6 | C7 | 0.2° | 0.0° |
| N1 | C4 | C6 | C3 | 178.9° | 179.8° |
| N1 | C4 | C6 | C5 | 179.8° | 180.0° |
| N1 | C4 | C3 | C2 | 179.0° | 180.0° |
| C4 | N1 | H1 | H2 | 120.0° | 179.8° |
| N1 | C4 | C3 | H37 | 1.1° | 0.1° |
| C7 | C6 | C4 | C5 | 180.0° | 180.0° |
| C7 | C6 | C4 | C3 | 178.7° | 179.8° |
| C7 | C6 | C5 | C27 | 179.9° | 180.0° |
| C7 | C6 | C5 | H3 | 0.1° | 0.3° |
| C6 | C7 | H4 | H5 | 120.3° | 119.9° |
| C6 | C7 | C8 | H6 | 178.4° | 60.0° |
| C6 | C7 | C8 | H7 | 64.7° | 60.0° |
| C25 | C26 | C10 | H20 | 120.7° | 120.0° |
| C25 | C26 | C10 | H21 | 120.7° | 120.0° |
| C25 | C26 | C10 | N2 | 177.9° | 180.0° |
| C25 | C26 | C10 | H8 | 60.9° | 60.0° |
| C25 | C26 | C10 | H9 | 56.8° | 60.0° |
| C25 | C26 | H20 | H21 | 117.9° | 120.0° |
| C26 | C25 | H35 | H36 | 118.8° | 120.0° |
| C6 | C4 | C3 | C2 | 2.1° | 0.2° |
| C4 | C6 | C5 | C27 | 0.1° | 0.0° |
| C6 | C4 | N1 | H1 | 180.0° | 0.1° |
| C6 | C4 | N1 | H2 | 60.0° | 179.7° |
| C4 | C6 | C5 | H3 | 179.9° | 179.8° |
| C4 | C6 | C7 | H4 | 5.0° | 40.0° |
| C4 | C6 | C7 | H5 | 115.2° | 159.9° |
| C6 | C4 | C3 | H37 | 177.8° | 179.8° |
| C3 | C4 | C6 | C5 | 1.3° | 0.2° |
| C4 | C3 | C2 | H37 | 180.0° | 180.0° |
| C4 | C3 | C2 | C27 | 1.6° | 0.0° |
| C3 | C4 | N1 | H1 | 1.1° | 179.7° |
| C3 | C4 | N1 | H2 | 118.9° | 0.5° |
| C4 | C3 | C2 | H33 | 178.4° | 179.8° |
| C6 | C5 | C27 | H3 | 180.0° | 179.7° |
| C6 | C5 | C27 | C2 | 0.6° | 0.2° |
| C6 | C5 | C27 | N2 | 178.7° | 179.7° |
| C5 | C6 | C7 | H4 | 175.0° | 140.0° |
| C5 | C6 | C7 | H5 | 64.8° | 20.0° |
| C26 | C10 | N2 | H8 | 121.2° | 120.0° |
| C26 | C10 | N2 | H9 | 121.2° | 120.0° |
| C26 | C10 | N2 | C27 | 51.0° | 89.9° |
| C26 | C10 | N2 | C11 | 160.7° | 90.0° |
| C26 | C10 | H8 | H9 | 116.3° | 120.1° |
| C10 | C26 | H20 | H21 | 117.9° | 120.0° |
| C10 | C26 | C25 | H35 | 54.7° | 60.0° |
| C10 | C26 | C25 | H36 | 64.5° | 60.1° |
| C3 | C2 | C27 | C5 | 0.2° | 0.2° |
| C3 | C2 | C27 | H33 | 180.0° | 179.8° |
| C3 | C2 | C27 | N2 | 177.9° | 179.7° |
| C5 | C27 | C2 | N2 | 178.2° | 179.9° |
| C5 | C27 | N2 | C10 | 61.6° | 0.1° |
| C5 | C27 | N2 | C11 | 58.9° | 180.0° |
| C5 | C27 | C2 | H33 | 179.8° | 180.0° |
| C2 | C27 | N2 | C10 | 116.6° | 180.0° |
| C2 | C27 | N2 | C11 | 122.9° | 0.1° |
| C2 | C27 | C5 | H3 | 179.4° | 180.0° |
| C27 | C2 | C3 | H37 | 178.4° | 180.0° |
| C10 | N2 | C27 | C11 | 120.5° | 179.9° |
| C10 | N2 | C11 | C13 | 166.3° | 90.0° |
| N2 | C10 | H8 | H9 | 116.3° | 119.9° |
| N2 | C10 | C26 | H20 | 57.2° | 60.0° |
| N2 | C10 | C26 | H21 | 61.4° | 60.0° |
| C10 | N2 | C11 | H23 | 45.7° | 30.1° |
| C10 | N2 | C11 | H24 | 73.1° | 150.0° |
| C27 | N2 | C11 | C13 | 58.5° | 90.0° |
| N2 | C27 | C5 | H3 | 1.3° | 0.0° |
| C27 | N2 | C10 | H8 | 70.1° | 30.1° |
| C27 | N2 | C10 | H9 | 172.2° | 150.0° |
| C27 | N2 | C11 | H23 | 62.1° | 150.0° |
| C27 | N2 | C11 | H24 | 179.0° | 30.0° |
| N2 | C27 | C2 | H33 | 2.1° | 0.1° |
| N2 | C11 | C13 | H23 | 120.6° | 120.1° |
| N2 | C11 | C13 | H24 | 120.6° | 120.0° |
| N2 | C11 | C13 | C14 | 174.7° | 180.0° |
| C11 | N2 | C10 | H8 | 39.5° | 150.0° |
| C11 | N2 | C10 | H9 | 78.1° | 30.0° |
| N2 | C11 | C13 | H10 | 64.1° | 60.0° |
| N2 | C11 | C13 | H11 | 53.5° | 60.0° |
| N2 | C11 | H23 | H24 | 118.2° | 120.0° |
| C11 | C13 | C14 | H10 | 121.2° | 120.0° |
| C11 | C13 | C14 | H11 | 121.2° | 120.0° |
| C11 | C13 | C14 | C15 | 59.5° | 175.0° |
| C11 | C13 | C14 | C16 | 61.7° | 65.0° |
| C11 | C13 | H10 | H11 | 116.2° | 119.9° |
| C13 | C11 | H23 | H24 | 118.2° | 120.0° |
| C11 | C13 | C14 | H26 | 178.4° | 55.0° |
| C13 | C14 | C15 | C16 | 123.6° | 120.0° |
| C13 | C14 | C15 | H26 | 118.6° | 120.0° |
| C13 | C14 | C15 | C17 | 179.7° | 180.0° |
| C13 | C14 | C16 | H26 | 119.5° | 119.9° |
| C13 | C14 | C16 | C18 | 179.7° | 180.0° |
| C14 | C13 | H10 | H11 | 116.2° | 120.0° |
| C13 | C14 | C15 | H12 | 59.4° | 60.0° |
| C13 | C14 | C15 | H13 | 60.0° | 60.0° |
| C14 | C13 | C11 | H23 | 54.1° | 60.0° |
| C14 | C13 | C11 | H24 | 64.7° | 59.9° |
| C13 | C14 | C16 | H27 | 59.5° | 60.0° |
| C13 | C14 | C16 | H28 | 60.0° | 59.9° |
| C14 | C15 | C17 | H12 | 120.3° | 120.1° |
| C14 | C15 | C17 | H13 | 120.3° | 120.0° |
| C15 | C14 | C16 | H26 | 117.8° | 120.0° |
| C14 | C15 | C17 | C19 | 59.7° | 60.0° |
| C15 | C14 | C16 | C18 | 57.1° | 60.0° |
| C15 | C14 | C13 | H10 | 179.3° | 55.0° |
| C15 | C14 | C13 | H11 | 61.7° | 65.0° |
| C14 | C15 | H12 | H13 | 119.2° | 120.0° |
| C14 | C15 | C17 | H14 | 60.4° | 60.0° |
| C14 | C15 | C17 | H15 | 179.9° | 180.0° |
| C15 | C14 | C16 | H27 | 63.2° | 60.0° |
| C15 | C14 | C16 | H28 | 177.3° | 180.0° |
| C17 | C15 | C14 | C16 | 56.8° | 60.0° |
| C15 | C17 | C19 | H14 | 120.2° | 119.9° |
| C15 | C17 | C19 | H15 | 120.2° | 120.0° |
| C15 | C17 | C19 | C18 | 59.8° | 60.0° |
| C17 | C15 | H12 | H13 | 119.1° | 119.9° |
| C15 | C17 | H14 | H15 | 119.5° | 120.0° |
| C17 | C15 | C14 | H26 | 61.1° | 60.0° |
| C15 | C17 | C19 | H31 | 179.6° | 180.0° |
| C15 | C17 | C19 | H32 | 59.9° | 60.0° |
| C14 | C16 | C18 | H27 | 120.3° | 120.0° |
| C14 | C16 | C18 | H28 | 120.3° | 120.1° |
| C14 | C16 | C18 | C19 | 60.0° | 59.9° |
| C16 | C14 | C13 | H10 | 59.5° | 175.0° |
| C16 | C14 | C13 | H11 | 177.1° | 55.0° |
| C16 | C14 | C15 | H12 | 177.0° | 60.0° |
| C16 | C14 | C15 | H13 | 63.5° | 180.0° |
| C14 | C16 | H27 | H28 | 119.2° | 120.0° |
| C14 | C16 | C18 | H29 | 179.9° | 180.0° |
| C14 | C16 | C18 | H30 | 60.0° | 60.0° |
| C17 | C19 | C18 | C16 | 59.8° | 59.9° |
| C17 | C19 | C18 | H31 | 119.8° | 120.0° |
| C17 | C19 | C18 | H32 | 119.8° | 120.0° |
| C19 | C17 | C15 | H12 | 180.0° | 60.1° |
| C19 | C17 | C15 | H13 | 60.6° | 180.0° |
| C19 | C17 | H14 | H15 | 119.5° | 120.0° |
| C17 | C19 | C18 | H29 | 179.9° | 180.0° |
| C17 | C19 | C18 | H30 | 60.3° | 60.0° |
| C17 | C19 | H31 | H32 | 120.7° | 120.0° |
| C16 | C18 | C19 | H29 | 120.1° | 120.0° |
| C16 | C18 | C19 | H30 | 120.1° | 119.9° |
| C18 | C16 | C14 | H26 | 60.7° | 60.1° |
| C18 | C16 | H27 | H28 | 119.2° | 120.0° |
| C16 | C18 | H29 | H30 | 119.8° | 120.0° |
| C16 | C18 | C19 | H31 | 179.6° | 180.0° |
| C16 | C18 | C19 | H32 | 60.0° | 60.1° |
| C18 | C19 | C17 | H14 | 60.3° | 60.0° |
| C18 | C19 | C17 | H15 | 180.0° | 179.9° |
| C19 | C18 | C16 | H27 | 60.2° | 60.1° |
| C19 | C18 | C16 | H28 | 179.7° | 180.0° |
| C19 | C18 | H29 | H30 | 119.7° | 120.0° |
| C18 | C19 | H31 | H32 | 120.6° | 119.9° |
| H4 | C7 | C8 | H6 | 58.5° | 179.9° |
| H4 | C7 | C8 | H7 | 175.4° | 60.0° |
| H5 | C7 | C8 | H6 | 61.7° | 60.0° |
| H5 | C7 | C8 | H7 | 55.2° | 180.0° |
| H8 | C10 | C26 | H20 | 178.4° | 60.0° |
| H8 | C10 | C26 | H21 | 59.8° | 180.0° |
| H9 | C10 | C26 | H20 | 63.9° | 180.0° |
| H9 | C10 | C26 | H21 | 177.5° | 60.0° |
| H10 | C13 | C11 | H23 | 175.3° | 60.1° |
| H10 | C13 | C11 | H24 | 56.5° | 180.0° |
| H10 | C13 | C14 | H26 | 60.4° | 65.0° |
| H11 | C13 | C11 | H23 | 67.1° | 180.0° |
| H11 | C13 | C11 | H24 | 174.1° | 60.0° |
| H11 | C13 | C14 | H26 | 57.2° | 175.0° |
| H12 | C15 | C17 | H14 | 59.8° | 180.0° |
| H12 | C15 | C17 | H15 | 59.8° | 59.9° |
| H12 | C15 | C14 | H26 | 59.2° | 179.9° |
| H13 | C15 | C17 | H14 | 179.3° | 60.0° |
| H13 | C15 | C17 | H15 | 59.6° | 60.0° |
| H13 | C15 | C14 | H26 | 178.6° | 60.0° |
| H14 | C17 | C19 | H31 | 59.4° | 60.0° |
| H14 | C17 | C19 | H32 | 179.9° | 180.0° |
| H15 | C17 | C19 | H31 | 60.2° | 60.0° |
| H15 | C17 | C19 | H32 | 60.2° | 60.0° |
| H16 | C20 | H17 | H18 | 120.0° | 120.1° |
| H19 | C22 | C23 | H34 | 1.2° | 0.1° |
| H20 | C26 | C25 | H35 | 175.4° | NaN° |
| H20 | C26 | C25 | H36 | 56.2° | 60.0° |
| H21 | C26 | C25 | H35 | 66.0° | 60.0° |
| H21 | C26 | C25 | H36 | 174.8° | 180.0° |
| H22 | C1 | C12 | H25 | 0.0° | 0.1° |
| H26 | C14 | C16 | H27 | 179.0° | 180.0° |
| H26 | C14 | C16 | H28 | 59.5° | 60.0° |
| H27 | C16 | C18 | H29 | 59.8° | 60.0° |
| H27 | C16 | C18 | H30 | 179.7° | 180.0° |
| H28 | C16 | C18 | H29 | 59.6° | 59.9° |
| H28 | C16 | C18 | H30 | 60.2° | 60.1° |
| H29 | C18 | C19 | H31 | 60.3° | 60.0° |
| H29 | C18 | C19 | H32 | 60.1° | 60.0° |
| H30 | C18 | C19 | H31 | 59.5° | 60.0° |
| H30 | C18 | C19 | H32 | 179.9° | 180.0° |
| H33 | C2 | C3 | H37 | 1.6° | 0.2° |
