A1I6S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| C1 | O2 | sing | 1.35Å | 1.26Å | |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.47Å | |
| C6 | N1 | doub | 1.31Å | 1.33Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.39Å | Aromatic |
| N2 | C7 | sing | 1.35Å | 1.39Å | |
| C7 | O3 | doub | 1.22Å | 1.21Å | |
| C7 | C8 | sing | 1.48Å | 1.50Å | |
| C8 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | CL1 | sing | 1.74Å | 1.74Å | |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | F1 | sing | 1.40Å | 1.33Å | |
| C14 | F2 | sing | 1.40Å | 1.33Å | |
| C14 | F3 | sing | 1.40Å | 1.33Å | |
| N2 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | CL2 | sing | 1.74Å | 1.75Å | |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | O4 | sing | 1.36Å | 1.37Å | |
| O4 | C22 | sing | 1.43Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.55Å | 1.54Å | |
| C24 | C25 | sing | 1.54Å | 1.51Å | |
| C25 | C26 | sing | 1.54Å | 1.51Å | |
| C26 | C27 | sing | 1.54Å | 1.52Å | |
| C21 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C20 | sing | 1.47Å | 1.43Å | Aromatic |
| C23 | C27 | sing | 1.55Å | 1.54Å | |
| C8 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.08Å | 1.08Å | |
| O2 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 125.0° | 120.0° |
| O1 | C1 | C2 | 117.9° | 120.0° |
| O2 | C1 | C2 | 117.1° | 120.0° |
| C1 | O2 | H21 | 109.5° | 117.0° |
| C1 | C2 | C3 | 119.8° | 120.0° |
| C1 | C2 | C28 | 120.1° | 120.0° |
| C2 | C3 | C4 | 120.0° | 120.1° |
| C3 | C2 | C28 | 120.0° | 120.0° |
| C2 | C3 | H1 | 120.0° | 120.0° |
| C3 | C4 | C5 | 120.8° | 120.1° |
| C3 | C4 | H2 | 119.6° | 119.9° |
| C4 | C3 | H1 | 120.0° | 119.9° |
| C4 | C5 | C6 | 117.3° | 120.1° |
| C4 | C5 | C21 | 118.9° | 120.0° |
| C5 | C4 | H2 | 119.6° | 119.9° |
| C5 | C6 | N1 | 121.0° | 126.2° |
| C6 | C5 | C21 | 123.6° | 120.0° |
| C5 | C6 | C20 | 128.9° | 126.2° |
| C6 | N1 | N2 | 107.2° | 110.0° |
| N1 | C6 | C20 | 109.6° | 107.7° |
| N1 | N2 | C7 | 121.0° | 125.4° |
| N1 | N2 | C15 | 111.0° | 109.1° |
| N2 | C7 | O3 | 119.8° | 120.0° |
| N2 | C7 | C8 | 117.0° | 119.9° |
| C7 | N2 | C15 | 127.9° | 125.4° |
| O3 | C7 | C8 | 123.1° | 120.0° |
| C7 | C8 | C9 | 119.1° | 120.2° |
| C7 | C8 | C13 | 121.6° | 120.1° |
| C8 | C9 | CL1 | 121.5° | 120.1° |
| C8 | C9 | C10 | 121.0° | 119.8° |
| C9 | C8 | C13 | 119.3° | 119.6° |
| CL1 | C9 | C10 | 117.5° | 120.1° |
| C9 | C10 | C11 | 119.3° | 120.1° |
| C9 | C10 | H3 | 120.4° | 119.9° |
| C10 | C11 | C12 | 120.6° | 120.3° |
| C11 | C10 | H3 | 120.3° | 120.0° |
| C10 | C11 | H4 | 119.7° | 119.8° |
| C11 | C12 | C13 | 120.8° | 120.2° |
| C12 | C11 | H4 | 119.7° | 119.9° |
| C11 | C12 | H5 | 119.6° | 119.9° |
| C12 | C13 | C14 | 118.7° | 120.0° |
| C12 | C13 | C8 | 118.9° | 119.9° |
| C13 | C12 | H5 | 119.6° | 119.9° |
| C13 | C14 | F1 | 112.9° | 109.5° |
| C13 | C14 | F2 | 113.1° | 109.5° |
| C13 | C14 | F3 | 112.7° | 109.4° |
| C14 | C13 | C8 | 122.3° | 120.1° |
| F1 | C14 | F2 | 108.4° | 109.5° |
| F1 | C14 | F3 | 102.9° | 109.5° |
| F2 | C14 | F3 | 106.0° | 109.4° |
| N2 | C15 | C16 | 133.2° | 133.6° |
| N2 | C15 | C20 | 104.9° | 106.9° |
| C15 | C16 | C17 | 117.7° | 119.9° |
| C16 | C15 | C20 | 121.9° | 119.5° |
| C15 | C16 | H6 | 121.1° | 120.0° |
| C16 | C17 | C18 | 119.9° | 120.6° |
| C17 | C16 | H6 | 121.2° | 120.1° |
| C16 | C17 | H7 | 120.0° | 119.7° |
| C17 | C18 | CL2 | 119.7° | 119.8° |
| C17 | C18 | C19 | 123.1° | 120.4° |
| C18 | C17 | H7 | 120.1° | 119.7° |
| CL2 | C18 | C19 | 117.2° | 119.8° |
| C18 | C19 | C20 | 117.5° | 119.7° |
| C18 | C19 | H8 | 121.3° | 120.2° |
| C19 | C20 | C6 | 132.9° | 133.9° |
| C19 | C20 | C15 | 119.8° | 119.9° |
| C20 | C19 | H8 | 121.3° | 120.1° |
| C5 | C21 | O4 | 120.9° | 120.1° |
| C5 | C21 | C28 | 120.0° | 119.9° |
| C21 | O4 | C22 | 116.0° | 117.0° |
| O4 | C21 | C28 | 119.1° | 120.0° |
| O4 | C22 | C23 | 112.2° | 109.5° |
| O4 | C22 | H10 | 108.8° | 109.4° |
| O4 | C22 | H9 | 108.8° | 109.5° |
| C22 | C23 | C24 | 115.2° | 110.8° |
| C22 | C23 | C27 | 115.4° | 110.7° |
| C23 | C22 | H10 | 108.8° | 109.5° |
| C23 | C22 | H9 | 108.8° | 109.5° |
| C22 | C23 | H11 | 107.8° | 110.7° |
| C23 | C24 | C25 | 101.5° | 104.2° |
| C24 | C23 | C27 | 102.9° | 102.8° |
| C23 | C24 | H13 | 111.4° | 110.4° |
| C23 | C24 | H12 | 111.5° | 110.6° |
| C24 | C23 | H11 | 107.5° | 110.7° |
| C24 | C25 | C26 | 106.3° | 106.6° |
| C25 | C24 | H13 | 111.4° | 110.5° |
| C25 | C24 | H12 | 111.4° | 110.5° |
| C24 | C25 | H15 | 110.3° | 110.1° |
| C24 | C25 | H14 | 110.3° | 110.0° |
| C25 | C26 | C27 | 107.2° | 106.6° |
| C26 | C25 | H15 | 110.3° | 110.0° |
| C26 | C25 | H14 | 110.3° | 110.0° |
| C25 | C26 | H17 | 110.0° | 110.0° |
| C25 | C26 | H16 | 110.1° | 110.0° |
| C26 | C27 | C23 | 103.4° | 104.2° |
| C27 | C26 | H17 | 110.0° | 110.1° |
| C27 | C26 | H16 | 110.0° | 110.0° |
| C26 | C27 | H19 | 111.0° | 110.5° |
| C26 | C27 | H18 | 111.0° | 110.5° |
| C21 | C28 | C2 | 120.2° | 119.9° |
| C21 | C28 | H20 | 119.9° | 120.1° |
| C2 | C28 | H20 | 119.9° | 120.0° |
| C6 | C20 | C15 | 107.2° | 106.3° |
| C27 | C23 | H11 | 107.5° | 110.9° |
| C23 | C27 | H19 | 111.0° | 110.5° |
| C23 | C27 | H18 | 110.9° | 110.5° |
| H10 | C22 | H9 | 109.5° | 109.5° |
| H13 | C24 | H12 | 109.5° | 110.4° |
| H15 | C25 | H14 | 109.5° | 110.1° |
| H17 | C26 | H16 | 109.5° | 110.1° |
| H19 | C27 | H18 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 176.9° | 180.0° |
| O1 | C1 | C2 | C3 | 173.0° | 180.0° |
| O1 | C1 | C2 | C28 | 8.7° | 0.3° |
| O1 | C1 | O2 | H21 | 0.0° | 0.1° |
| O2 | C1 | C2 | C3 | 9.8° | 0.0° |
| O2 | C1 | C2 | C28 | 168.4° | 179.7° |
| C1 | C2 | C3 | C28 | 178.3° | 179.7° |
| C1 | C2 | C3 | C4 | 178.9° | 179.8° |
| C1 | C2 | C28 | C21 | 179.6° | 179.8° |
| C1 | C2 | C3 | H1 | 1.1° | 0.4° |
| C1 | C2 | C28 | H20 | 0.4° | 0.3° |
| C2 | C1 | O2 | H21 | 177.0° | 180.0° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C3 | C2 | C28 | C21 | 1.4° | 0.1° |
| C2 | C3 | C4 | H2 | 179.3° | 180.0° |
| C3 | C2 | C28 | H20 | 178.6° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 176.4° | 180.0° |
| C3 | C4 | C5 | C21 | 1.4° | 0.1° |
| C4 | C3 | C2 | C28 | 0.6° | 0.1° |
| C4 | C5 | C6 | C21 | 174.8° | 180.0° |
| C4 | C5 | C6 | N1 | 43.2° | 137.2° |
| C4 | C5 | C21 | O4 | 177.2° | 180.0° |
| C4 | C5 | C21 | C28 | 0.6° | 0.1° |
| C4 | C5 | C6 | C20 | 127.9° | 42.4° |
| C5 | C4 | C3 | H1 | 179.3° | 179.9° |
| C5 | C6 | N1 | C20 | 172.7° | 179.7° |
| C5 | C6 | N1 | N2 | 176.5° | 179.9° |
| C5 | C6 | C20 | C19 | 6.5° | 0.1° |
| C6 | C5 | C21 | O4 | 2.5° | 0.1° |
| C6 | C5 | C21 | C28 | 175.3° | 180.0° |
| C5 | C6 | C20 | C15 | 174.9° | 179.9° |
| C6 | C5 | C4 | H2 | 3.6° | 0.0° |
| C6 | N1 | N2 | C7 | 179.3° | 180.0° |
| C6 | N1 | N2 | C15 | 3.3° | 0.2° |
| N1 | C6 | C20 | C19 | 178.4° | 179.7° |
| N1 | C6 | C5 | C21 | 142.0° | 42.8° |
| N1 | C6 | C20 | C15 | 3.0° | 0.3° |
| N1 | N2 | C7 | C15 | 175.3° | 179.8° |
| N1 | N2 | C7 | O3 | 162.3° | 95.0° |
| N1 | N2 | C7 | C8 | 19.7° | 85.0° |
| N1 | N2 | C15 | C16 | 178.7° | 179.8° |
| N2 | N1 | C6 | C20 | 3.8° | 0.3° |
| N1 | N2 | C15 | C20 | 1.4° | 0.0° |
| N2 | C7 | O3 | C8 | 177.9° | 180.0° |
| N2 | C7 | C8 | C9 | 60.8° | 4.8° |
| C7 | N2 | C15 | C16 | 3.0° | 0.0° |
| N2 | C7 | C8 | C13 | 119.9° | 175.6° |
| C7 | N2 | C15 | C20 | 177.1° | 179.8° |
| O3 | C7 | C8 | C9 | 117.1° | 175.2° |
| O3 | C7 | N2 | C15 | 22.4° | 85.2° |
| O3 | C7 | C8 | C13 | 62.1° | 4.4° |
| C7 | C8 | C9 | C13 | 179.3° | 179.7° |
| C7 | C8 | C9 | CL1 | 0.9° | 0.3° |
| C7 | C8 | C9 | C10 | 179.4° | 179.7° |
| C7 | C8 | C13 | C12 | 179.1° | 179.7° |
| C7 | C8 | C13 | C14 | 0.3° | 0.3° |
| C8 | C7 | N2 | C15 | 155.6° | 94.8° |
| C8 | C9 | CL1 | C10 | 179.7° | 179.9° |
| C8 | C9 | C10 | C11 | 0.0° | 0.1° |
| C9 | C8 | C13 | C12 | 0.2° | 0.1° |
| C9 | C8 | C13 | C14 | 179.0° | 180.0° |
| C8 | C9 | C10 | H3 | 179.9° | 180.0° |
| CL1 | C9 | C10 | C11 | 179.7° | 180.0° |
| CL1 | C9 | C8 | C13 | 179.8° | 180.0° |
| CL1 | C9 | C10 | H3 | 0.3° | 0.0° |
| C9 | C10 | C11 | H3 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.4° | 0.1° |
| C10 | C9 | C8 | C13 | 0.1° | 0.1° |
| C9 | C10 | C11 | H4 | 179.5° | 179.9° |
| C10 | C11 | C12 | H4 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.7° | 0.1° |
| C10 | C11 | C12 | H5 | 179.3° | 180.0° |
| C11 | C12 | C13 | H5 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 179.4° | 180.0° |
| C11 | C12 | C13 | C8 | 0.6° | 0.1° |
| C12 | C11 | C10 | H3 | 179.5° | 179.9° |
| C12 | C13 | C14 | C8 | 178.8° | 180.0° |
| C12 | C13 | C14 | F1 | 99.6° | 0.0° |
| C12 | C13 | C14 | F2 | 136.7° | 120.0° |
| C12 | C13 | C14 | F3 | 16.5° | 120.1° |
| C13 | C12 | C11 | H4 | 179.3° | 179.9° |
| C13 | C14 | F1 | F2 | 126.2° | 120.0° |
| C13 | C14 | F1 | F3 | 121.8° | 120.0° |
| C13 | C14 | F2 | F3 | 124.0° | 119.9° |
| C14 | C13 | C12 | H5 | 0.6° | 0.1° |
| F1 | C14 | F2 | F3 | 109.9° | 120.0° |
| F1 | C14 | C13 | C8 | 79.2° | 180.0° |
| F2 | C14 | C13 | C8 | 44.4° | 59.9° |
| F3 | C14 | C13 | C8 | 164.7° | 60.0° |
| N2 | C15 | C16 | C20 | 179.9° | 179.8° |
| N2 | C15 | C16 | C17 | 178.6° | 179.8° |
| N2 | C15 | C20 | C19 | 179.7° | 179.8° |
| N2 | C15 | C20 | C6 | 0.9° | 0.2° |
| N2 | C15 | C16 | H6 | 1.4° | 0.3° |
| C15 | C16 | C17 | H6 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 1.7° | 0.1° |
| C16 | C15 | C20 | C19 | 0.2° | 0.0° |
| C16 | C15 | C20 | C6 | 179.0° | 180.0° |
| C15 | C16 | C17 | H7 | 178.3° | 180.0° |
| C16 | C17 | C18 | H7 | 180.0° | 179.9° |
| C16 | C17 | C18 | CL2 | 179.4° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.1° |
| C17 | C16 | C15 | C20 | 1.5° | 0.1° |
| C17 | C18 | CL2 | C19 | 179.6° | 180.0° |
| C17 | C18 | C19 | C20 | 1.5° | 0.1° |
| C18 | C17 | C16 | H6 | 178.3° | 180.0° |
| C17 | C18 | C19 | H8 | 178.5° | 180.0° |
| CL2 | C18 | C19 | C20 | 178.9° | 180.0° |
| CL2 | C18 | C17 | H7 | 0.6° | 0.0° |
| CL2 | C18 | C19 | H8 | 1.1° | 0.1° |
| C18 | C19 | C20 | H8 | 180.0° | 179.9° |
| C18 | C19 | C20 | C6 | 179.9° | 180.0° |
| C18 | C19 | C20 | C15 | 1.6° | 0.0° |
| C19 | C18 | C17 | H7 | 179.8° | 180.0° |
| C19 | C20 | C6 | C15 | 178.6° | 180.0° |
| C5 | C21 | O4 | C28 | 177.8° | 179.9° |
| C5 | C21 | O4 | C22 | 145.7° | 175.0° |
| C5 | C21 | C28 | C2 | 0.7° | 0.1° |
| C21 | C5 | C6 | C20 | 46.9° | 137.6° |
| C21 | C5 | C4 | H2 | 178.7° | 180.0° |
| C5 | C21 | C28 | H20 | 179.3° | 180.0° |
| C21 | O4 | C22 | C23 | 163.2° | 175.4° |
| O4 | C21 | C28 | C2 | 178.6° | 180.0° |
| C21 | O4 | C22 | H10 | 42.8° | 64.6° |
| C21 | O4 | C22 | H9 | 76.4° | 55.4° |
| O4 | C21 | C28 | H20 | 1.4° | 0.1° |
| O4 | C22 | C23 | H10 | 120.4° | 120.0° |
| O4 | C22 | C23 | H9 | 120.4° | 120.0° |
| O4 | C22 | C23 | C24 | 131.3° | 176.5° |
| C22 | O4 | C21 | C28 | 36.4° | 5.1° |
| O4 | C22 | C23 | C27 | 11.5° | 70.1° |
| O4 | C22 | H10 | H9 | 118.8° | 120.0° |
| O4 | C22 | C23 | H11 | 108.7° | 53.3° |
| C22 | C23 | C24 | C27 | 126.4° | 118.3° |
| C22 | C23 | C24 | H11 | 120.2° | 123.2° |
| C22 | C23 | C24 | C25 | 169.8° | 156.3° |
| C22 | C23 | C27 | C26 | 163.0° | 156.3° |
| C22 | C23 | C27 | H11 | 120.3° | 123.3° |
| C23 | C22 | H10 | H9 | 118.7° | 120.0° |
| C22 | C23 | C24 | H13 | 71.5° | 37.6° |
| C22 | C23 | C24 | H12 | 51.1° | 84.9° |
| C22 | C23 | C27 | H19 | 78.0° | 37.6° |
| C22 | C23 | C27 | H18 | 43.9° | 85.1° |
| C23 | C24 | C25 | H13 | 118.7° | 118.6° |
| C23 | C24 | C25 | H12 | 118.7° | 118.9° |
| C23 | C24 | C25 | C26 | 33.5° | 23.6° |
| C24 | C23 | C27 | C26 | 36.6° | 37.9° |
| C24 | C23 | C27 | H11 | 113.3° | 118.4° |
| C24 | C23 | C22 | H10 | 108.3° | 63.5° |
| C24 | C23 | C22 | H9 | 10.9° | 56.5° |
| C23 | C24 | H13 | H12 | 123.7° | 122.6° |
| C23 | C24 | C25 | H15 | 86.0° | 95.7° |
| C23 | C24 | C25 | H14 | 153.0° | 142.8° |
| C24 | C23 | C27 | H19 | 155.6° | 80.8° |
| C24 | C23 | C27 | H18 | 82.4° | 156.6° |
| C24 | C25 | C26 | H15 | 119.5° | 119.3° |
| C24 | C25 | C26 | H14 | 119.5° | 119.3° |
| C24 | C25 | C26 | C27 | 11.2° | 0.0° |
| C25 | C24 | C23 | C27 | 43.3° | 37.9° |
| C25 | C24 | H13 | H12 | 123.7° | 122.6° |
| C24 | C25 | H15 | H14 | 121.5° | 121.5° |
| C25 | C24 | C23 | H11 | 70.0° | 80.6° |
| C24 | C25 | C26 | H17 | 130.8° | 119.3° |
| C24 | C25 | C26 | H16 | 108.5° | 119.3° |
| C25 | C26 | C27 | H17 | 119.6° | 119.3° |
| C25 | C26 | C27 | H16 | 119.7° | 119.2° |
| C25 | C26 | C27 | C23 | 15.9° | 23.6° |
| C26 | C25 | C24 | H13 | 152.2° | 95.0° |
| C26 | C25 | C24 | H12 | 85.2° | 142.4° |
| C26 | C25 | H15 | H14 | 121.5° | 121.4° |
| C25 | C26 | H17 | H16 | 121.1° | 121.4° |
| C25 | C26 | C27 | H19 | 134.9° | 95.0° |
| C25 | C26 | C27 | H18 | 103.1° | 142.3° |
| C26 | C27 | C23 | H19 | 119.0° | 118.7° |
| C26 | C27 | C23 | H18 | 119.0° | 118.6° |
| C27 | C26 | C25 | H15 | 108.3° | 119.3° |
| C27 | C26 | C25 | H14 | 130.7° | 119.2° |
| C26 | C27 | C23 | H11 | 76.7° | 80.4° |
| C27 | C26 | H17 | H16 | 121.0° | 121.4° |
| C26 | C27 | H19 | H18 | 122.9° | 122.6° |
| C21 | C28 | C2 | H20 | 180.0° | 180.0° |
| C28 | C2 | C3 | H1 | 179.4° | 179.9° |
| C6 | C20 | C19 | H8 | 0.2° | 0.1° |
| C27 | C23 | C22 | H10 | 131.9° | 49.8° |
| C27 | C23 | C22 | H9 | 108.9° | 169.9° |
| C27 | C23 | C24 | H13 | 162.0° | 80.8° |
| C27 | C23 | C24 | H12 | 75.4° | 156.7° |
| C23 | C27 | C26 | H17 | 103.7° | 95.7° |
| C23 | C27 | C26 | H16 | 135.6° | 142.9° |
| C23 | C27 | H19 | H18 | 122.8° | 122.6° |
| C8 | C13 | C12 | H5 | 179.5° | 179.9° |
| C20 | C15 | C16 | H6 | 178.5° | 179.9° |
| C15 | C20 | C19 | H8 | 178.3° | 179.9° |
| H3 | C10 | C11 | H4 | 0.5° | 0.0° |
| H2 | C4 | C3 | H1 | 0.7° | 0.1° |
| H4 | C11 | C12 | H5 | 0.7° | 0.1° |
| H10 | C22 | C23 | H11 | 11.7° | 173.2° |
| H9 | C22 | C23 | H11 | 130.9° | 66.7° |
| H13 | C24 | C25 | H15 | 32.7° | 145.7° |
| H13 | C24 | C25 | H14 | 88.3° | 24.2° |
| H13 | C24 | C23 | H11 | 48.6° | 160.8° |
| H12 | C24 | C25 | H15 | 155.3° | 23.2° |
| H12 | C24 | C25 | H14 | 34.3° | 98.3° |
| H12 | C24 | C23 | H11 | 171.3° | 38.2° |
| H15 | C25 | C26 | H17 | 11.3° | 0.0° |
| H15 | C25 | C26 | H16 | 132.0° | 121.4° |
| H14 | C25 | C26 | H17 | 109.7° | 121.4° |
| H14 | C25 | C26 | H16 | 11.0° | 0.0° |
| H6 | C16 | C17 | H7 | 1.7° | 0.1° |
| H11 | C23 | C27 | H19 | 42.3° | 160.8° |
| H11 | C23 | C27 | H18 | 164.2° | 38.2° |
| H17 | C26 | C27 | H19 | 15.3° | 145.7° |
| H17 | C26 | C27 | H18 | 137.3° | 23.0° |
| H16 | C26 | C27 | H19 | 105.4° | 24.2° |
| H16 | C26 | C27 | H18 | 16.6° | 98.5° |
