A1IRA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S1 | sing | 1.81Å | 1.75Å | |
| S1 | O1 | doub | 1.42Å | 1.44Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| S1 | C2 | sing | 1.76Å | 1.77Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | O3 | sing | 1.43Å | 1.41Å | |
| O3 | C7 | sing | 1.36Å | 1.36Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.51Å | |
| C10 | O4 | doub | 1.22Å | 1.27Å | |
| C10 | O5 | sing | 1.35Å | 1.26Å | |
| C9 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.47Å | |
| C14 | N1 | doub | 1.31Å | 1.33Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.39Å | Aromatic |
| N2 | C15 | sing | 1.35Å | 1.41Å | |
| C15 | O6 | doub | 1.22Å | 1.21Å | |
| C15 | C16 | sing | 1.48Å | 1.50Å | |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | CL1 | sing | 1.74Å | 1.74Å | |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | F1 | sing | 1.40Å | 1.34Å | |
| C22 | F2 | sing | 1.40Å | 1.33Å | |
| C22 | F3 | sing | 1.40Å | 1.33Å | |
| N2 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | CL2 | sing | 1.74Å | 1.75Å | |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C28 | sing | 1.47Å | 1.43Å | Aromatic |
| C16 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C28 | sing | 1.41Å | 1.40Å | Aromatic |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| O5 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | S1 | O1 | 109.5° | 110.6° |
| C1 | S1 | O2 | 106.7° | 110.5° |
| C1 | S1 | C2 | 105.8° | 104.5° |
| S1 | C1 | H3 | 109.5° | 109.5° |
| S1 | C1 | H1 | 109.4° | 109.4° |
| S1 | C1 | H2 | 109.4° | 109.5° |
| O1 | S1 | O2 | 118.4° | 121.0° |
| O1 | S1 | C2 | 108.2° | 104.3° |
| O2 | S1 | C2 | 107.5° | 104.3° |
| S1 | C2 | C3 | 119.4° | 120.0° |
| S1 | C2 | C30 | 119.7° | 120.0° |
| C2 | C3 | C4 | 118.8° | 120.0° |
| C3 | C2 | C30 | 120.8° | 120.0° |
| C2 | C3 | H4 | 120.6° | 120.1° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C4 | C3 | H4 | 120.6° | 120.0° |
| C3 | C4 | H5 | 119.4° | 120.0° |
| C4 | C5 | C6 | 119.7° | 120.0° |
| C4 | C5 | C29 | 119.3° | 120.0° |
| C5 | C4 | H5 | 119.4° | 120.0° |
| C5 | C6 | O3 | 115.6° | 109.4° |
| C6 | C5 | C29 | 120.9° | 120.0° |
| C5 | C6 | H7 | 107.9° | 109.5° |
| C5 | C6 | H6 | 107.9° | 109.5° |
| C6 | O3 | C7 | 116.1° | 117.0° |
| O3 | C6 | H7 | 107.9° | 109.4° |
| O3 | C6 | H6 | 107.9° | 109.5° |
| O3 | C7 | C8 | 120.2° | 120.0° |
| O3 | C7 | C13 | 118.9° | 120.1° |
| C7 | C8 | C9 | 120.2° | 119.9° |
| C8 | C7 | C13 | 120.5° | 119.9° |
| C7 | C8 | H8 | 119.9° | 120.1° |
| C8 | C9 | C10 | 119.5° | 120.0° |
| C8 | C9 | C11 | 119.6° | 120.0° |
| C9 | C8 | H8 | 119.9° | 120.0° |
| C9 | C10 | O4 | 118.2° | 120.0° |
| C9 | C10 | O5 | 117.0° | 120.0° |
| C10 | C9 | C11 | 120.9° | 120.0° |
| O4 | C10 | O5 | 124.8° | 120.0° |
| C10 | O5 | H19 | 109.5° | 117.0° |
| C9 | C11 | C12 | 120.2° | 120.1° |
| C9 | C11 | H9 | 119.9° | 119.9° |
| C11 | C12 | C13 | 120.7° | 120.1° |
| C12 | C11 | H9 | 119.9° | 120.0° |
| C11 | C12 | H10 | 119.6° | 119.9° |
| C12 | C13 | C14 | 120.6° | 120.0° |
| C12 | C13 | C7 | 118.5° | 120.0° |
| C13 | C12 | H10 | 119.6° | 120.0° |
| C13 | C14 | N1 | 119.9° | 126.1° |
| C14 | C13 | C7 | 120.5° | 120.0° |
| C13 | C14 | C28 | 130.4° | 126.2° |
| C14 | N1 | N2 | 107.8° | 110.0° |
| N1 | C14 | C28 | 109.5° | 107.7° |
| N1 | N2 | C15 | 121.2° | 125.4° |
| N1 | N2 | C23 | 110.3° | 109.2° |
| N2 | C15 | O6 | 119.7° | 120.0° |
| N2 | C15 | C16 | 117.0° | 120.0° |
| C15 | N2 | C23 | 128.2° | 125.4° |
| O6 | C15 | C16 | 123.3° | 120.0° |
| C15 | C16 | C17 | 119.3° | 120.2° |
| C15 | C16 | C21 | 122.2° | 120.2° |
| C16 | C17 | CL1 | 121.4° | 120.1° |
| C16 | C17 | C18 | 121.4° | 119.8° |
| C17 | C16 | C21 | 118.5° | 119.6° |
| CL1 | C17 | C18 | 117.1° | 120.1° |
| C17 | C18 | C19 | 119.5° | 120.1° |
| C17 | C18 | H11 | 120.3° | 120.0° |
| C18 | C19 | C20 | 120.3° | 120.4° |
| C19 | C18 | H11 | 120.3° | 119.9° |
| C18 | C19 | H12 | 119.8° | 119.9° |
| C19 | C20 | C21 | 121.1° | 120.1° |
| C20 | C19 | H12 | 119.8° | 119.8° |
| C19 | C20 | H13 | 119.5° | 120.0° |
| C20 | C21 | C22 | 117.8° | 120.1° |
| C20 | C21 | C16 | 119.2° | 119.9° |
| C21 | C20 | H13 | 119.5° | 119.9° |
| C21 | C22 | F1 | 112.3° | 109.5° |
| C21 | C22 | F2 | 112.4° | 109.5° |
| C21 | C22 | F3 | 113.6° | 109.5° |
| C22 | C21 | C16 | 123.0° | 120.0° |
| F1 | C22 | F2 | 103.8° | 109.4° |
| F1 | C22 | F3 | 107.0° | 109.5° |
| F2 | C22 | F3 | 107.0° | 109.5° |
| N2 | C23 | C24 | 132.4° | 133.5° |
| N2 | C23 | C28 | 105.5° | 106.8° |
| C23 | C24 | C25 | 118.0° | 119.9° |
| C24 | C23 | C28 | 122.1° | 119.6° |
| C23 | C24 | H14 | 121.0° | 120.1° |
| C24 | C25 | C26 | 119.9° | 120.6° |
| C25 | C24 | H14 | 121.0° | 120.0° |
| C24 | C25 | H15 | 120.1° | 119.7° |
| C25 | C26 | CL2 | 118.2° | 119.8° |
| C25 | C26 | C27 | 123.1° | 120.4° |
| C26 | C25 | H15 | 120.0° | 119.7° |
| CL2 | C26 | C27 | 118.7° | 119.8° |
| C26 | C27 | C28 | 117.4° | 119.6° |
| C26 | C27 | H16 | 121.3° | 120.1° |
| C27 | C28 | C14 | 133.7° | 133.8° |
| C27 | C28 | C23 | 119.5° | 119.9° |
| C28 | C27 | H16 | 121.3° | 120.2° |
| C5 | C29 | C30 | 120.6° | 120.0° |
| C5 | C29 | H17 | 119.7° | 120.0° |
| C29 | C30 | C2 | 119.4° | 120.0° |
| C30 | C29 | H17 | 119.7° | 120.0° |
| C29 | C30 | H18 | 120.3° | 120.0° |
| C2 | C30 | H18 | 120.3° | 120.0° |
| C14 | C28 | C23 | 106.8° | 106.3° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H7 | C6 | H6 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | S1 | O1 | O2 | 122.5° | 131.5° |
| C1 | S1 | O1 | C2 | 114.9° | 111.8° |
| C1 | S1 | O2 | C2 | 113.2° | 111.8° |
| C1 | S1 | C2 | C3 | 163.7° | 90.0° |
| C1 | S1 | C2 | C30 | 17.6° | 90.2° |
| S1 | C1 | H3 | H1 | 120.0° | 119.9° |
| S1 | C1 | H3 | H2 | 120.0° | 120.0° |
| S1 | C1 | H1 | H2 | 119.9° | 120.0° |
| O1 | S1 | O2 | C2 | 122.9° | 116.7° |
| O1 | S1 | C2 | C3 | 46.5° | 26.1° |
| O1 | S1 | C2 | C30 | 134.9° | 153.7° |
| O1 | S1 | C1 | H3 | 180.0° | 51.7° |
| O1 | S1 | C1 | H1 | 60.0° | 171.6° |
| O1 | S1 | C1 | H2 | 60.0° | 68.3° |
| O2 | S1 | C2 | C3 | 82.5° | 154.0° |
| O2 | S1 | C2 | C30 | 96.1° | 25.8° |
| O2 | S1 | C1 | H3 | 50.7° | 171.6° |
| O2 | S1 | C1 | H1 | 69.3° | 51.7° |
| O2 | S1 | C1 | H2 | 170.7° | 68.4° |
| S1 | C2 | C3 | C30 | 178.6° | 179.8° |
| S1 | C2 | C3 | C4 | 178.6° | 179.8° |
| S1 | C2 | C30 | C29 | 178.7° | 179.6° |
| C2 | S1 | C1 | H3 | 63.6° | 60.0° |
| C2 | S1 | C1 | H1 | 176.4° | 60.0° |
| C2 | S1 | C1 | H2 | 56.4° | 180.0° |
| S1 | C2 | C3 | H4 | 1.4° | 0.3° |
| S1 | C2 | C30 | H18 | 1.3° | 0.2° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C3 | C2 | C30 | C29 | 0.1° | 0.2° |
| C2 | C3 | C4 | H5 | 179.3° | 180.0° |
| C3 | C2 | C30 | H18 | 179.9° | 180.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 177.7° | 179.9° |
| C3 | C4 | C5 | C29 | 1.2° | 0.0° |
| C4 | C3 | C2 | C30 | 0.0° | 0.0° |
| C4 | C5 | C6 | C29 | 176.4° | 180.0° |
| C4 | C5 | C6 | O3 | 94.9° | 85.2° |
| C4 | C5 | C29 | C30 | 1.1° | 0.1° |
| C5 | C4 | C3 | H4 | 179.3° | 180.0° |
| C4 | C5 | C6 | H7 | 26.0° | 154.9° |
| C4 | C5 | C6 | H6 | 144.2° | 34.8° |
| C4 | C5 | C29 | H17 | 178.9° | 180.0° |
| C5 | C6 | O3 | H7 | 120.9° | 119.9° |
| C5 | C6 | O3 | H6 | 120.9° | 120.0° |
| C5 | C6 | O3 | C7 | 138.8° | 176.6° |
| C6 | C5 | C29 | C30 | 177.5° | 179.8° |
| C6 | C5 | C4 | H5 | 2.3° | 0.0° |
| C5 | C6 | H7 | H6 | 117.2° | 120.1° |
| C6 | C5 | C29 | H17 | 2.5° | 0.0° |
| C6 | O3 | C7 | C8 | 10.7° | 5.0° |
| O3 | C6 | C5 | C29 | 88.7° | 94.9° |
| C6 | O3 | C7 | C13 | 176.0° | 175.2° |
| O3 | C6 | H7 | H6 | 117.2° | 120.0° |
| O3 | C7 | C8 | C13 | 173.2° | 179.8° |
| O3 | C7 | C8 | C9 | 177.8° | 179.8° |
| O3 | C7 | C13 | C12 | 179.3° | 179.7° |
| O3 | C7 | C13 | C14 | 8.2° | 0.2° |
| C7 | O3 | C6 | H7 | 17.8° | 63.4° |
| C7 | O3 | C6 | H6 | 100.3° | 56.6° |
| O3 | C7 | C8 | H8 | 2.2° | 0.2° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 178.3° | 180.0° |
| C7 | C8 | C9 | C11 | 1.5° | 0.0° |
| C8 | C7 | C13 | C12 | 6.0° | 0.1° |
| C8 | C7 | C13 | C14 | 178.5° | 180.0° |
| C8 | C9 | C10 | C11 | 179.9° | 179.9° |
| C8 | C9 | C10 | O4 | 0.6° | 0.0° |
| C8 | C9 | C10 | O5 | 179.9° | 180.0° |
| C8 | C9 | C11 | C12 | 0.0° | 0.1° |
| C9 | C8 | C7 | C13 | 4.6° | 0.0° |
| C8 | C9 | C11 | H9 | 180.0° | 180.0° |
| C9 | C10 | O4 | O5 | 179.2° | 180.0° |
| C10 | C9 | C11 | C12 | 179.8° | 180.0° |
| C10 | C9 | C8 | H8 | 1.7° | 0.0° |
| C10 | C9 | C11 | H9 | 0.2° | 0.1° |
| C9 | C10 | O5 | H19 | 179.2° | 180.0° |
| O4 | C10 | C9 | C11 | 179.3° | 179.9° |
| O4 | C10 | O5 | H19 | 0.0° | 0.0° |
| O5 | C10 | C9 | C11 | 0.0° | 0.0° |
| C9 | C11 | C12 | H9 | 180.0° | 179.9° |
| C9 | C11 | C12 | C13 | 1.6° | 0.0° |
| C11 | C9 | C8 | H8 | 178.5° | 179.9° |
| C9 | C11 | C12 | H10 | 178.4° | 179.9° |
| C11 | C12 | C13 | H10 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 177.0° | 180.0° |
| C11 | C12 | C13 | C7 | 4.5° | 0.1° |
| C12 | C13 | C14 | C7 | 172.4° | 179.9° |
| C12 | C13 | C14 | N1 | 48.1° | 133.3° |
| C12 | C13 | C14 | C28 | 126.1° | 47.1° |
| C13 | C12 | C11 | H9 | 178.4° | 180.0° |
| C13 | C14 | N1 | C28 | 175.3° | 179.7° |
| C13 | C14 | N1 | N2 | 178.1° | 180.0° |
| C13 | C14 | C28 | C27 | 3.6° | 0.1° |
| C13 | C14 | C28 | C23 | 176.1° | 180.0° |
| C14 | C13 | C12 | H10 | 3.0° | 0.1° |
| C14 | N1 | N2 | C15 | 178.3° | 180.0° |
| C14 | N1 | N2 | C23 | 3.1° | 0.1° |
| N1 | C14 | C28 | C27 | 178.3° | 179.8° |
| N1 | C14 | C13 | C7 | 139.5° | 46.8° |
| N1 | C14 | C28 | C23 | 1.5° | 0.3° |
| N1 | N2 | C15 | C23 | 174.3° | 179.8° |
| N1 | N2 | C15 | O6 | 159.1° | 85.3° |
| N1 | N2 | C15 | C16 | 22.0° | 94.7° |
| N1 | N2 | C23 | C24 | 178.9° | 179.8° |
| N2 | N1 | C14 | C28 | 2.8° | 0.2° |
| N1 | N2 | C23 | C28 | 2.1° | 0.0° |
| N2 | C15 | O6 | C16 | 178.9° | 180.0° |
| N2 | C15 | C16 | C17 | 52.4° | 5.7° |
| C15 | N2 | C23 | C24 | 4.1° | 0.0° |
| N2 | C15 | C16 | C21 | 126.0° | 174.0° |
| C15 | N2 | C23 | C28 | 176.9° | 179.8° |
| O6 | C15 | C16 | C17 | 126.5° | 174.3° |
| O6 | C15 | N2 | C23 | 26.6° | 94.5° |
| O6 | C15 | C16 | C21 | 55.0° | 6.0° |
| C15 | C16 | C17 | C21 | 178.5° | 179.8° |
| C15 | C16 | C17 | CL1 | 0.7° | 0.0° |
| C15 | C16 | C17 | C18 | 178.8° | 180.0° |
| C15 | C16 | C21 | C20 | 179.9° | 179.7° |
| C15 | C16 | C21 | C22 | 3.6° | 0.0° |
| C16 | C15 | N2 | C23 | 152.4° | 85.5° |
| C16 | C17 | CL1 | C18 | 179.5° | 179.9° |
| C16 | C17 | C18 | C19 | 0.7° | 0.0° |
| C17 | C16 | C21 | C20 | 1.5° | 0.6° |
| C17 | C16 | C21 | C22 | 177.9° | 179.7° |
| C16 | C17 | C18 | H11 | 179.2° | 180.0° |
| CL1 | C17 | C18 | C19 | 179.8° | 180.0° |
| CL1 | C17 | C16 | C21 | 179.2° | 179.8° |
| CL1 | C17 | C18 | H11 | 0.2° | 0.1° |
| C17 | C18 | C19 | H11 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.6° | 0.0° |
| C18 | C17 | C16 | C21 | 0.3° | 0.3° |
| C17 | C18 | C19 | H12 | 179.4° | 180.0° |
| C18 | C19 | C20 | H12 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.6° | 0.3° |
| C18 | C19 | C20 | H13 | 179.4° | 180.0° |
| C19 | C20 | C21 | H13 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 178.3° | 179.7° |
| C19 | C20 | C21 | C16 | 1.6° | 0.6° |
| C20 | C19 | C18 | H11 | 179.4° | 180.0° |
| C20 | C21 | C22 | C16 | 176.5° | 179.7° |
| C20 | C21 | C22 | F1 | 89.9° | 0.3° |
| C20 | C21 | C22 | F2 | 26.8° | 120.3° |
| C20 | C21 | C22 | F3 | 148.5° | 119.6° |
| C21 | C20 | C19 | H12 | 179.4° | 179.7° |
| C21 | C22 | F1 | F2 | 121.7° | 120.0° |
| C21 | C22 | F1 | F3 | 125.3° | 120.0° |
| C21 | C22 | F2 | F3 | 125.4° | 120.1° |
| C22 | C21 | C20 | H13 | 1.7° | 0.0° |
| F1 | C22 | F2 | F3 | 112.9° | 120.0° |
| F1 | C22 | C21 | C16 | 86.6° | 180.0° |
| F2 | C22 | C21 | C16 | 156.7° | 60.0° |
| F3 | C22 | C21 | C16 | 35.0° | 60.1° |
| N2 | C23 | C24 | C28 | 178.9° | 179.8° |
| N2 | C23 | C24 | C25 | 179.3° | 179.8° |
| N2 | C23 | C28 | C27 | 179.8° | 179.9° |
| N2 | C23 | C28 | C14 | 0.4° | 0.2° |
| N2 | C23 | C24 | H14 | 0.6° | 0.2° |
| C23 | C24 | C25 | H14 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 1.4° | 0.0° |
| C24 | C23 | C28 | C27 | 0.7° | 0.1° |
| C24 | C23 | C28 | C14 | 179.5° | 180.0° |
| C23 | C24 | C25 | H15 | 178.6° | 180.0° |
| C24 | C25 | C26 | H15 | 180.0° | 180.0° |
| C24 | C25 | C26 | CL2 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.1° |
| C25 | C24 | C23 | C28 | 1.8° | 0.0° |
| C25 | C26 | CL2 | C27 | 179.9° | 180.0° |
| C25 | C26 | C27 | C28 | 1.2° | 0.1° |
| C26 | C25 | C24 | H14 | 178.6° | 179.9° |
| C25 | C26 | C27 | H16 | 178.8° | 179.9° |
| CL2 | C26 | C27 | C28 | 178.9° | 179.9° |
| CL2 | C26 | C25 | H15 | 0.0° | 0.1° |
| CL2 | C26 | C27 | H16 | 1.2° | 0.1° |
| C26 | C27 | C28 | H16 | 180.0° | 179.8° |
| C26 | C27 | C28 | C14 | 178.9° | 180.0° |
| C26 | C27 | C28 | C23 | 0.8° | 0.1° |
| C27 | C26 | C25 | H15 | 179.9° | 179.9° |
| C27 | C28 | C14 | C23 | 179.7° | 179.9° |
| C5 | C29 | C30 | H17 | 180.0° | 179.8° |
| C5 | C29 | C30 | C2 | 0.5° | 0.2° |
| C29 | C5 | C4 | H5 | 178.8° | 180.0° |
| C29 | C5 | C6 | H7 | 150.4° | 25.1° |
| C29 | C5 | C6 | H6 | 32.2° | 145.1° |
| C5 | C29 | C30 | H18 | 179.5° | 180.0° |
| C29 | C30 | C2 | H18 | 180.0° | 179.8° |
| C30 | C2 | C3 | H4 | 180.0° | 179.9° |
| C2 | C30 | C29 | H17 | 179.6° | 180.0° |
| C7 | C13 | C14 | C28 | 46.3° | 132.8° |
| C13 | C7 | C8 | H8 | 175.4° | 180.0° |
| C7 | C13 | C12 | H10 | 175.5° | 180.0° |
| C14 | C28 | C27 | H16 | 1.1° | 0.2° |
| C16 | C21 | C20 | H13 | 178.3° | 179.7° |
| C28 | C23 | C24 | H14 | 178.2° | 179.9° |
| C23 | C28 | C27 | H16 | 179.2° | 179.9° |
| H3 | C1 | H1 | H2 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 0.7° | 0.0° |
| H9 | C11 | C12 | H10 | 1.6° | 0.0° |
| H11 | C18 | C19 | H12 | 0.6° | 0.0° |
| H12 | C19 | C20 | H13 | 0.6° | 0.0° |
| H14 | C24 | C25 | H15 | 1.4° | 0.1° |
| H17 | C29 | C30 | H18 | 0.5° | 0.1° |
