A1IXH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.54Å | 1.46Å | |
| C27 | O5 | sing | 1.43Å | 1.44Å | |
| C26 | O4 | sing | 1.43Å | 1.44Å | |
| O5 | C28 | sing | 1.36Å | 1.38Å | |
| O4 | C25 | sing | 1.36Å | 1.38Å | |
| C28 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C3 | sing | 1.48Å | 1.49Å | |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| O3 | C19 | doub | 1.21Å | 1.25Å | |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | N1 | sing | 1.47Å | 1.46Å | |
| C16 | C19 | sing | 1.51Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | N1 | sing | 1.47Å | 1.45Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.47Å | 1.43Å | |
| C9 | C8 | doub | 1.34Å | 1.24Å | |
| C9 | C10 | sing | 1.47Å | 1.46Å | |
| C20 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | O2 | sing | 1.34Å | 1.26Å | |
| C17 | O1 | sing | 1.43Å | 1.42Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C21 | sing | 1.51Å | 1.52Å | |
| F3 | C21 | sing | 1.40Å | 1.34Å | |
| F2 | C21 | sing | 1.40Å | 1.33Å | |
| C21 | F1 | sing | 1.40Å | 1.34Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.08Å | 1.08Å | |
| C5 | H19 | sing | 1.08Å | 1.08Å | |
| C6 | H20 | sing | 1.08Å | 1.08Å | |
| C8 | H21 | sing | 1.08Å | 1.08Å | |
| C9 | H22 | sing | 1.08Å | 1.08Å | |
| C12 | H23 | sing | 1.08Å | 1.08Å | |
| C13 | H24 | sing | 1.08Å | 1.08Å | |
| N1 | H25 | sing | 1.01Å | 1.00Å | |
| O1 | H27 | sing | 0.97Å | 0.95Å | |
| O2 | H28 | sing | 0.97Å | 0.95Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | O5 | 109.3° | 108.2° |
| C27 | C26 | O4 | 111.8° | 108.3° |
| C27 | C26 | H11 | 108.9° | 109.7° |
| C27 | C26 | H12 | 108.9° | 109.7° |
| C26 | C27 | H13 | 109.5° | 109.7° |
| C26 | C27 | H14 | 109.5° | 109.7° |
| C27 | O5 | C28 | 114.8° | 116.7° |
| O5 | C27 | H13 | 109.5° | 109.7° |
| O5 | C27 | H14 | 109.5° | 109.7° |
| C26 | O4 | C25 | 116.2° | 116.7° |
| O4 | C26 | H11 | 108.9° | 109.8° |
| O4 | C26 | H12 | 108.9° | 109.7° |
| O5 | C28 | C25 | 122.1° | 120.8° |
| O5 | C28 | C29 | 117.8° | 119.3° |
| O4 | C25 | C28 | 120.1° | 120.7° |
| O4 | C25 | C24 | 119.5° | 119.2° |
| C25 | C28 | C29 | 120.0° | 119.9° |
| C28 | C25 | C24 | 120.2° | 120.0° |
| C28 | C29 | C22 | 121.2° | 120.0° |
| C28 | C29 | H29 | 119.4° | 120.0° |
| C25 | C24 | C23 | 119.5° | 120.2° |
| C25 | C24 | H10 | 120.3° | 119.9° |
| C29 | C22 | C23 | 118.1° | 119.8° |
| C29 | C22 | C3 | 118.5° | 120.1° |
| C22 | C29 | H29 | 119.4° | 120.0° |
| C24 | C23 | C22 | 120.9° | 120.0° |
| C24 | C23 | H9 | 119.6° | 120.0° |
| C23 | C24 | H10 | 120.2° | 119.9° |
| C23 | C22 | C3 | 123.2° | 120.0° |
| C22 | C23 | H9 | 119.5° | 120.0° |
| C22 | C3 | C4 | 113.8° | 120.0° |
| C22 | C3 | C2 | 126.5° | 120.0° |
| C18 | C16 | N1 | 108.8° | 109.5° |
| C18 | C16 | C19 | 109.9° | 109.4° |
| C18 | C16 | C17 | 109.3° | 109.5° |
| C16 | C18 | H5 | 109.5° | 109.5° |
| C16 | C18 | H6 | 109.4° | 109.5° |
| C16 | C18 | H7 | 109.5° | 109.4° |
| C4 | C3 | C2 | 119.4° | 119.9° |
| C3 | C4 | C5 | 121.3° | 120.2° |
| C3 | C4 | H18 | 119.3° | 119.9° |
| C3 | C2 | C1 | 121.2° | 120.2° |
| C3 | C2 | C7 | 118.5° | 119.7° |
| C1 | C2 | C7 | 119.7° | 120.1° |
| C2 | C1 | H15 | 109.5° | 109.4° |
| C2 | C1 | H16 | 109.4° | 109.5° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C4 | C5 | C6 | 119.3° | 120.3° |
| C5 | C4 | H18 | 119.4° | 119.9° |
| C4 | C5 | H19 | 120.4° | 119.9° |
| C2 | C7 | C6 | 120.9° | 119.8° |
| C2 | C7 | C8 | 119.7° | 120.1° |
| O3 | C19 | C16 | 114.4° | 120.0° |
| O3 | C19 | O2 | 124.8° | 120.0° |
| C5 | C6 | C7 | 120.0° | 120.1° |
| C6 | C5 | H19 | 120.4° | 119.9° |
| C5 | C6 | H20 | 120.0° | 119.9° |
| N1 | C16 | C19 | 113.7° | 109.5° |
| N1 | C16 | C17 | 107.3° | 109.5° |
| C16 | N1 | C15 | 113.1° | 111.0° |
| C16 | N1 | H25 | 108.6° | 111.0° |
| C19 | C16 | C17 | 107.7° | 109.5° |
| C16 | C19 | O2 | 120.8° | 120.0° |
| C16 | C17 | O1 | 109.1° | 109.5° |
| C16 | C17 | H3 | 109.6° | 109.5° |
| C16 | C17 | H4 | 109.6° | 109.5° |
| N1 | C15 | C14 | 115.4° | 109.5° |
| N1 | C15 | H1 | 108.0° | 109.5° |
| N1 | C15 | H2 | 108.0° | 109.5° |
| C15 | N1 | H25 | 108.6° | 111.0° |
| C15 | C14 | C20 | 118.7° | 119.9° |
| C15 | C14 | C13 | 123.4° | 119.9° |
| C14 | C15 | H1 | 108.0° | 109.5° |
| C14 | C15 | H2 | 107.9° | 109.5° |
| C6 | C7 | C8 | 119.3° | 120.1° |
| C7 | C6 | H20 | 120.0° | 120.0° |
| C7 | C8 | C9 | 126.9° | 120.0° |
| C7 | C8 | H21 | 116.5° | 120.1° |
| C8 | C9 | C10 | 129.9° | 120.0° |
| C9 | C8 | H21 | 116.6° | 120.0° |
| C8 | C9 | H22 | 115.1° | 120.0° |
| C9 | C10 | C20 | 114.9° | 120.1° |
| C9 | C10 | C11 | 125.5° | 120.1° |
| C10 | C9 | H22 | 115.1° | 120.0° |
| C14 | C20 | C10 | 122.6° | 119.8° |
| C20 | C14 | C13 | 117.8° | 120.2° |
| C14 | C20 | H8 | 118.7° | 120.1° |
| C20 | C10 | C11 | 119.5° | 119.7° |
| C10 | C20 | H8 | 118.7° | 120.1° |
| C19 | O2 | H28 | 109.5° | 117.0° |
| O1 | C17 | H3 | 109.6° | 109.4° |
| O1 | C17 | H4 | 109.5° | 109.5° |
| C17 | O1 | H27 | 109.5° | 114.0° |
| C14 | C13 | C12 | 120.7° | 120.3° |
| C14 | C13 | H24 | 119.7° | 119.8° |
| C10 | C11 | C12 | 118.0° | 119.9° |
| C10 | C11 | C21 | 119.7° | 120.1° |
| C13 | C12 | C11 | 121.0° | 120.1° |
| C13 | C12 | H23 | 119.5° | 120.0° |
| C12 | C13 | H24 | 119.7° | 119.8° |
| C12 | C11 | C21 | 121.1° | 120.1° |
| C11 | C12 | H23 | 119.5° | 119.9° |
| C11 | C21 | F3 | 113.1° | 109.5° |
| C11 | C21 | F2 | 111.9° | 109.5° |
| C11 | C21 | F1 | 117.2° | 109.5° |
| F3 | C21 | F2 | 102.0° | 109.5° |
| F3 | C21 | F1 | 112.3° | 109.4° |
| F2 | C21 | F1 | 98.4° | 109.5° |
| H1 | C15 | H2 | 109.5° | 109.4° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H5 | C18 | H6 | 109.5° | 109.5° |
| H5 | C18 | H7 | 109.5° | 109.5° |
| H6 | C18 | H7 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.5° | 109.7° |
| H13 | C27 | H14 | 109.5° | 109.7° |
| H15 | C1 | H16 | 109.4° | 109.4° |
| H15 | C1 | H17 | 109.4° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | O5 | H13 | 120.0° | 119.7° |
| C26 | C27 | O5 | H14 | 120.0° | 119.7° |
| C27 | C26 | O4 | H11 | 120.3° | 119.7° |
| C27 | C26 | O4 | H12 | 120.4° | 119.7° |
| C26 | C27 | O5 | C28 | 46.4° | 46.3° |
| C27 | C26 | O4 | C25 | 38.5° | 46.3° |
| C27 | C26 | H11 | H12 | 118.9° | 120.6° |
| C26 | C27 | H13 | H14 | 120.0° | 120.6° |
| O5 | C27 | C26 | O4 | 58.4° | 59.7° |
| C27 | O5 | C28 | C25 | 14.8° | 17.5° |
| C27 | O5 | C28 | C29 | 161.5° | 162.5° |
| O5 | C27 | C26 | H11 | 62.0° | 60.0° |
| O5 | C27 | C26 | H12 | 178.8° | 179.4° |
| O5 | C27 | H13 | H14 | 120.1° | 120.6° |
| C26 | O4 | C25 | C28 | 5.7° | 17.4° |
| C26 | O4 | C25 | C24 | 168.9° | 162.8° |
| O4 | C26 | H11 | H12 | 118.9° | 120.6° |
| O4 | C26 | C27 | H13 | 61.6° | 59.9° |
| O4 | C26 | C27 | H14 | 178.4° | 179.5° |
| O5 | C28 | C25 | O4 | 7.0° | 0.6° |
| O5 | C28 | C25 | C29 | 176.2° | 180.0° |
| O5 | C28 | C25 | C24 | 178.5° | 179.6° |
| O5 | C28 | C29 | C22 | 174.7° | 179.5° |
| C28 | O5 | C27 | H13 | 73.6° | 73.4° |
| C28 | O5 | C27 | H14 | 166.4° | 166.0° |
| O5 | C28 | C29 | H29 | 5.3° | 0.1° |
| O4 | C25 | C28 | C24 | 174.6° | 179.8° |
| O4 | C25 | C28 | C29 | 176.8° | 179.4° |
| O4 | C25 | C24 | C23 | 179.8° | 179.6° |
| O4 | C25 | C24 | H10 | 0.2° | 0.4° |
| C25 | O4 | C26 | H11 | 81.8° | 73.4° |
| C25 | O4 | C26 | H12 | 158.9° | 166.0° |
| C25 | C28 | C29 | C22 | 1.7° | 0.5° |
| C28 | C25 | C24 | C23 | 5.2° | 0.1° |
| C28 | C25 | C24 | H10 | 174.8° | 179.9° |
| C25 | C28 | C29 | H29 | 178.3° | 179.9° |
| C29 | C28 | C25 | C24 | 2.2° | 0.4° |
| C28 | C29 | C22 | H29 | 180.0° | 179.6° |
| C28 | C29 | C22 | C23 | 2.6° | 0.4° |
| C28 | C29 | C22 | C3 | 177.7° | 179.8° |
| C25 | C24 | C23 | H10 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 4.3° | 0.0° |
| C25 | C24 | C23 | H9 | 175.7° | 179.9° |
| C29 | C22 | C23 | C24 | 0.4° | 0.1° |
| C29 | C22 | C23 | C3 | 174.8° | 179.8° |
| C29 | C22 | C3 | C4 | 45.9° | 123.7° |
| C29 | C22 | C3 | C2 | 139.9° | 56.3° |
| C29 | C22 | C23 | H9 | 179.5° | 179.8° |
| C24 | C23 | C22 | H9 | 180.0° | 179.9° |
| C24 | C23 | C22 | C3 | 174.4° | 179.9° |
| C23 | C22 | C3 | C4 | 128.8° | 56.1° |
| C23 | C22 | C3 | C2 | 45.3° | 123.9° |
| C22 | C23 | C24 | H10 | 175.7° | 180.0° |
| C23 | C22 | C29 | H29 | 177.4° | 180.0° |
| C22 | C3 | C4 | C2 | 174.6° | 180.0° |
| C22 | C3 | C2 | C1 | 8.2° | 0.0° |
| C22 | C3 | C4 | C5 | 177.1° | 180.0° |
| C22 | C3 | C2 | C7 | 179.7° | 179.7° |
| C3 | C22 | C23 | H9 | 5.7° | 0.0° |
| C22 | C3 | C4 | H18 | 2.9° | 0.0° |
| C3 | C22 | C29 | H29 | 2.4° | 0.2° |
| C18 | C16 | C19 | O3 | 2.0° | 25.0° |
| C18 | C16 | N1 | C19 | 122.8° | 120.0° |
| C18 | C16 | N1 | C17 | 118.2° | 120.0° |
| C18 | C16 | C19 | C17 | 119.0° | 120.0° |
| C18 | C16 | N1 | C15 | 94.1° | 59.9° |
| C18 | C16 | C19 | O2 | 175.9° | 155.0° |
| C18 | C16 | C17 | O1 | 149.2° | 60.0° |
| C18 | C16 | C17 | H3 | 29.2° | 180.0° |
| C18 | C16 | C17 | H4 | 90.9° | 60.0° |
| C16 | C18 | H5 | H6 | 120.0° | 120.0° |
| C16 | C18 | H5 | H7 | 120.0° | 120.0° |
| C16 | C18 | H6 | H7 | 120.0° | 120.0° |
| C18 | C16 | N1 | H25 | 26.4° | 64.0° |
| C4 | C3 | C2 | C1 | 177.9° | 180.0° |
| C3 | C4 | C5 | H18 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 6.5° | 0.3° |
| C3 | C4 | C5 | C6 | 3.7° | 0.1° |
| C3 | C4 | C5 | H19 | 176.4° | 179.9° |
| C3 | C2 | C1 | C7 | 171.4° | 179.7° |
| C2 | C3 | C4 | C5 | 2.4° | 0.0° |
| C3 | C2 | C7 | C6 | 4.6° | 0.5° |
| C3 | C2 | C7 | C8 | 178.2° | 179.7° |
| C3 | C2 | C1 | H15 | 85.6° | 94.1° |
| C3 | C2 | C1 | H16 | 154.4° | 25.8° |
| C3 | C2 | C1 | H17 | 34.4° | 145.8° |
| C2 | C3 | C4 | H18 | 177.6° | 180.0° |
| C1 | C2 | C7 | C6 | 176.2° | 179.8° |
| C1 | C2 | C7 | C8 | 6.6° | 0.0° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H17 | 120.0° | 120.0° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C4 | C5 | C6 | H19 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 5.5° | 0.2° |
| C4 | C5 | C6 | H20 | 174.5° | 180.0° |
| C2 | C7 | C6 | C5 | 1.4° | 0.5° |
| C2 | C7 | C6 | C8 | 177.2° | 179.7° |
| C2 | C7 | C8 | C9 | 122.7° | 180.0° |
| C7 | C2 | C1 | H15 | 85.8° | 85.6° |
| C7 | C2 | C1 | H16 | 34.2° | 154.5° |
| C7 | C2 | C1 | H17 | 154.2° | 34.5° |
| C2 | C7 | C6 | H20 | 178.6° | 179.7° |
| C2 | C7 | C8 | H21 | 57.3° | 0.0° |
| O3 | C19 | C16 | N1 | 124.3° | 145.0° |
| O3 | C19 | C16 | O2 | 177.9° | 180.0° |
| O3 | C19 | C16 | C17 | 117.0° | 95.0° |
| O3 | C19 | O2 | H28 | 0.0° | 0.0° |
| C5 | C6 | C7 | H20 | 180.0° | 179.8° |
| C5 | C6 | C7 | C8 | 175.7° | 179.8° |
| C6 | C5 | C4 | H18 | 176.3° | 179.9° |
| N1 | C16 | C19 | C17 | 118.7° | 120.0° |
| C16 | N1 | C15 | H25 | 120.5° | 123.9° |
| C16 | N1 | C15 | C14 | 148.0° | 180.0° |
| N1 | C16 | C19 | O2 | 53.6° | 35.0° |
| N1 | C16 | C17 | O1 | 31.3° | 179.9° |
| C16 | N1 | C15 | H1 | 27.1° | 59.9° |
| C16 | N1 | C15 | H2 | 91.2° | 60.0° |
| N1 | C16 | C17 | H3 | 88.6° | 60.0° |
| N1 | C16 | C17 | H4 | 151.2° | 60.0° |
| N1 | C16 | C18 | H5 | 180.0° | 60.0° |
| N1 | C16 | C18 | H6 | 60.0° | 180.0° |
| N1 | C16 | C18 | H7 | 60.0° | 60.0° |
| C19 | C16 | N1 | C15 | 28.7° | 60.0° |
| C19 | C16 | C17 | O1 | 91.5° | 59.9° |
| C19 | C16 | C17 | H3 | 148.6° | 60.0° |
| C19 | C16 | C17 | H4 | 28.4° | 180.0° |
| C19 | C16 | C18 | H5 | 54.9° | 60.0° |
| C19 | C16 | C18 | H6 | 174.9° | 60.0° |
| C19 | C16 | C18 | H7 | 65.1° | 180.0° |
| C19 | C16 | N1 | H25 | 149.2° | 176.0° |
| C16 | C19 | O2 | H28 | 177.6° | 180.0° |
| C17 | C16 | N1 | C15 | 147.7° | 180.0° |
| C17 | C16 | C19 | O2 | 65.1° | 85.0° |
| C16 | C17 | O1 | H3 | 120.0° | 120.0° |
| C16 | C17 | O1 | H4 | 119.9° | 120.0° |
| C16 | C17 | H3 | H4 | 120.2° | 120.0° |
| C17 | C16 | C18 | H5 | 63.1° | 180.0° |
| C17 | C16 | C18 | H6 | 56.9° | 60.0° |
| C17 | C16 | C18 | H7 | 176.9° | 60.0° |
| C17 | C16 | N1 | H25 | 91.8° | 56.0° |
| C16 | C17 | O1 | H27 | 180.0° | 180.0° |
| N1 | C15 | C14 | H1 | 120.9° | 120.1° |
| N1 | C15 | C14 | H2 | 120.9° | 120.0° |
| N1 | C15 | C14 | C20 | 90.0° | 89.9° |
| N1 | C15 | C14 | C13 | 93.9° | 90.0° |
| N1 | C15 | H1 | H2 | 117.3° | 120.0° |
| C15 | C14 | C20 | C13 | 176.3° | 179.9° |
| C15 | C14 | C20 | C10 | 179.9° | 180.0° |
| C15 | C14 | C13 | C12 | 178.6° | 180.0° |
| C14 | C15 | H1 | H2 | 117.3° | 120.0° |
| C15 | C14 | C20 | H8 | 0.1° | 0.3° |
| C15 | C14 | C13 | H24 | 1.4° | 0.0° |
| C14 | C15 | N1 | H25 | 91.5° | 56.1° |
| C6 | C7 | C8 | C9 | 60.1° | 0.2° |
| C7 | C6 | C5 | H19 | 174.5° | 179.8° |
| C6 | C7 | C8 | H21 | 119.9° | 179.7° |
| C7 | C8 | C9 | H21 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 162.7° | 180.0° |
| C8 | C7 | C6 | H20 | 4.2° | 0.1° |
| C7 | C8 | C9 | H22 | 17.3° | 0.0° |
| C8 | C9 | C10 | H22 | 180.0° | 180.0° |
| C8 | C9 | C10 | C20 | 113.9° | 0.0° |
| C8 | C9 | C10 | C11 | 64.0° | 179.9° |
| C9 | C10 | C20 | C14 | 178.1° | 179.9° |
| C9 | C10 | C20 | C11 | 178.0° | 179.9° |
| C9 | C10 | C11 | C12 | 176.8° | 180.0° |
| C9 | C10 | C11 | C21 | 9.4° | 0.1° |
| C9 | C10 | C20 | H8 | 1.9° | 0.3° |
| C10 | C9 | C8 | H21 | 17.3° | 0.0° |
| C14 | C20 | C10 | H8 | 180.0° | 179.7° |
| C14 | C20 | C10 | C11 | 0.2° | 0.0° |
| C20 | C14 | C13 | C12 | 2.5° | 0.0° |
| C20 | C14 | C15 | H1 | 149.1° | 150.0° |
| C20 | C14 | C15 | H2 | 30.9° | 30.1° |
| C20 | C14 | C13 | H24 | 177.5° | 180.0° |
| C10 | C20 | C14 | C13 | 3.8° | 0.0° |
| C20 | C10 | C11 | C12 | 5.4° | 0.0° |
| C20 | C10 | C11 | C21 | 172.9° | 180.0° |
| C20 | C10 | C9 | H22 | 66.1° | 180.0° |
| O1 | C17 | H3 | H4 | 120.1° | 120.1° |
| C14 | C13 | C12 | H24 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 2.9° | 0.0° |
| C13 | C14 | C15 | H1 | 27.0° | 30.0° |
| C13 | C14 | C15 | H2 | 145.2° | 150.0° |
| C13 | C14 | C20 | H8 | 176.2° | 179.7° |
| C14 | C13 | C12 | H23 | 177.1° | 180.0° |
| C10 | C11 | C12 | C13 | 6.8° | 0.1° |
| C10 | C11 | C12 | C21 | 167.3° | 179.9° |
| C10 | C11 | C21 | F3 | 28.9° | 60.0° |
| C10 | C11 | C21 | F2 | 85.5° | 60.0° |
| C10 | C11 | C21 | F1 | 161.9° | 180.0° |
| C11 | C10 | C20 | H8 | 179.8° | 179.7° |
| C11 | C10 | C9 | H22 | 116.0° | 0.0° |
| C10 | C11 | C12 | H23 | 173.2° | 180.0° |
| C13 | C12 | C11 | H23 | 180.0° | 180.0° |
| C13 | C12 | C11 | C21 | 174.1° | 180.0° |
| C12 | C11 | C21 | F3 | 164.0° | 120.0° |
| C12 | C11 | C21 | F2 | 81.5° | 119.9° |
| C12 | C11 | C21 | F1 | 31.0° | 0.1° |
| C11 | C12 | C13 | H24 | 177.1° | 180.0° |
| C11 | C21 | F3 | F2 | 120.3° | 120.1° |
| C11 | C21 | F3 | F1 | 135.3° | 120.0° |
| C11 | C21 | F2 | F1 | 123.8° | 120.0° |
| C21 | C11 | C12 | H23 | 5.9° | 0.0° |
| F3 | C21 | F2 | F1 | 115.1° | 120.0° |
| H1 | C15 | N1 | H25 | 147.6° | 64.0° |
| H2 | C15 | N1 | H25 | 29.4° | 176.1° |
| H3 | C17 | O1 | H27 | 60.0° | 60.0° |
| H4 | C17 | O1 | H27 | 60.1° | 60.0° |
| H5 | C18 | H6 | H7 | 120.0° | 120.0° |
| H9 | C23 | C24 | H10 | 4.4° | 0.1° |
| H11 | C26 | C27 | H13 | 178.0° | 179.7° |
| H11 | C26 | C27 | H14 | 58.0° | 59.7° |
| H12 | C26 | C27 | H13 | 58.8° | 59.8° |
| H12 | C26 | C27 | H14 | 61.3° | 60.8° |
| H15 | C1 | H16 | H17 | 120.0° | 120.0° |
| H18 | C4 | C5 | H19 | 3.6° | 0.1° |
| H19 | C5 | C6 | H20 | 5.5° | 0.0° |
| H21 | C8 | C9 | H22 | 162.7° | 180.0° |
| H23 | C12 | C13 | H24 | 2.9° | 0.0° |
