A1IRG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.27Å | |
| 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 | 1.32Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.39Å | Aromatic |
| N2 | C7 | sing | 1.35Å | 1.40Å | |
| C7 | O3 | doub | 1.22Å | 1.21Å | |
| C7 | C8 | sing | 1.48Å | 1.50Å | |
| C8 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | CL1 | sing | 1.74Å | 1.74Å | |
| C9 | C10 | sing | 1.38Å | 1.38Å | 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 | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | CL2 | sing | 1.74Å | 1.74Å | |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | O4 | sing | 1.36Å | 1.36Å | |
| O4 | C22 | sing | 1.43Å | 1.42Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.37Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.37Å | Aromatic |
| C28 | O5 | sing | 1.36Å | 1.38Å | |
| O5 | C29 | sing | 1.44Å | 1.43Å | |
| C29 | O6 | sing | 1.44Å | 1.44Å | |
| C21 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C30 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C20 | sing | 1.47Å | 1.43Å | Aromatic |
| C23 | C28 | sing | 1.39Å | 1.37Å | Aromatic |
| C8 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.41Å | 1.40Å | Aromatic |
| C27 | O6 | sing | 1.36Å | 1.38Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| O2 | H17 | sing | 0.97Å | 0.95Å | |
| 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 | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 125.2° | 120.0° |
| O1 | C1 | C2 | 117.4° | 120.0° |
| O2 | C1 | C2 | 117.2° | 120.0° |
| C1 | O2 | H17 | 109.5° | 117.0° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C1 | C2 | C30 | 120.3° | 120.0° |
| C2 | C3 | C4 | 120.5° | 120.1° |
| C3 | C2 | C30 | 119.7° | 120.0° |
| C2 | C3 | H1 | 119.8° | 120.0° |
| C3 | C4 | C5 | 120.7° | 120.0° |
| C4 | C3 | H1 | 119.8° | 119.9° |
| C3 | C4 | H2 | 119.6° | 120.0° |
| C4 | C5 | C6 | 118.1° | 120.0° |
| C4 | C5 | C21 | 118.4° | 120.0° |
| C5 | C4 | H2 | 119.6° | 120.0° |
| C5 | C6 | N1 | 120.0° | 126.2° |
| C6 | C5 | C21 | 123.2° | 120.0° |
| C5 | C6 | C20 | 129.8° | 126.2° |
| C6 | N1 | N2 | 107.3° | 110.0° |
| N1 | C6 | C20 | 109.5° | 107.6° |
| N1 | N2 | C7 | 121.3° | 125.4° |
| N1 | N2 | C15 | 110.9° | 109.2° |
| N2 | C7 | O3 | 119.7° | 120.0° |
| N2 | C7 | C8 | 116.3° | 120.0° |
| C7 | N2 | C15 | 127.6° | 125.4° |
| O3 | C7 | C8 | 123.9° | 120.0° |
| C7 | C8 | C9 | 118.5° | 120.2° |
| C7 | C8 | C13 | 122.3° | 120.2° |
| C8 | C9 | CL1 | 120.7° | 120.1° |
| C8 | C9 | C10 | 121.1° | 119.8° |
| C9 | C8 | C13 | 119.2° | 119.7° |
| CL1 | C9 | C10 | 118.2° | 120.1° |
| C9 | C10 | C11 | 119.3° | 120.1° |
| C9 | C10 | H3 | 120.4° | 119.9° |
| C10 | C11 | C12 | 120.7° | 120.4° |
| C11 | C10 | H3 | 120.4° | 119.9° |
| C10 | C11 | H4 | 119.7° | 119.8° |
| C11 | C12 | C13 | 120.5° | 120.2° |
| C12 | C11 | H4 | 119.6° | 119.8° |
| C11 | C12 | H5 | 119.8° | 119.9° |
| C12 | C13 | C14 | 118.7° | 120.1° |
| C12 | C13 | C8 | 119.3° | 119.9° |
| C13 | C12 | H5 | 119.8° | 119.9° |
| C13 | C14 | F1 | 113.2° | 109.5° |
| C13 | C14 | F2 | 112.0° | 109.5° |
| C13 | C14 | F3 | 112.6° | 109.5° |
| C14 | C13 | C8 | 122.0° | 120.1° |
| F1 | C14 | F2 | 105.4° | 109.5° |
| F1 | C14 | F3 | 107.7° | 109.4° |
| F2 | C14 | F3 | 105.3° | 109.5° |
| N2 | C15 | C16 | 132.7° | 133.6° |
| N2 | C15 | C20 | 105.1° | 106.8° |
| C15 | C16 | C17 | 117.9° | 119.9° |
| C16 | C15 | C20 | 122.2° | 119.6° |
| C15 | C16 | H6 | 121.1° | 120.1° |
| C16 | C17 | C18 | 119.8° | 120.6° |
| C17 | C16 | H6 | 121.1° | 120.0° |
| C16 | C17 | H7 | 120.1° | 119.7° |
| C17 | C18 | CL2 | 118.7° | 119.8° |
| C17 | C18 | C19 | 123.1° | 120.4° |
| C18 | C17 | H7 | 120.1° | 119.7° |
| CL2 | C18 | C19 | 118.2° | 119.8° |
| C18 | C19 | C20 | 117.6° | 119.7° |
| C18 | C19 | H8 | 121.2° | 120.1° |
| C19 | C20 | C6 | 133.6° | 133.8° |
| C19 | C20 | C15 | 119.4° | 119.9° |
| C20 | C19 | H8 | 121.2° | 120.2° |
| C5 | C21 | O4 | 116.5° | 120.0° |
| C5 | C21 | C30 | 120.7° | 119.9° |
| C21 | O4 | C22 | 116.1° | 117.0° |
| O4 | C21 | C30 | 122.7° | 120.0° |
| O4 | C22 | C23 | 105.1° | 109.5° |
| O4 | C22 | H10 | 110.6° | 109.5° |
| O4 | C22 | H9 | 110.6° | 109.4° |
| C22 | C23 | C24 | 121.7° | 120.0° |
| C22 | C23 | C28 | 121.3° | 120.0° |
| C23 | C22 | H10 | 110.5° | 109.5° |
| C23 | C22 | H9 | 110.6° | 109.5° |
| C23 | C24 | C25 | 121.2° | 120.2° |
| C24 | C23 | C28 | 117.0° | 120.0° |
| C23 | C24 | H11 | 119.4° | 119.9° |
| C24 | C25 | C26 | 121.1° | 120.1° |
| C25 | C24 | H11 | 119.4° | 119.9° |
| C24 | C25 | H12 | 119.4° | 120.0° |
| C25 | C26 | C27 | 116.7° | 120.0° |
| C26 | C25 | H12 | 119.5° | 119.9° |
| C25 | C26 | H13 | 121.6° | 120.0° |
| C26 | C27 | C28 | 122.6° | 119.8° |
| C26 | C27 | O6 | 128.6° | 131.5° |
| C27 | C26 | H13 | 121.7° | 120.0° |
| C27 | C28 | O5 | 111.8° | 108.6° |
| C27 | C28 | C23 | 121.3° | 119.8° |
| C28 | C27 | O6 | 108.7° | 108.7° |
| C28 | O5 | C29 | 104.6° | 105.5° |
| O5 | C28 | C23 | 126.8° | 131.5° |
| O5 | C29 | O6 | 108.9° | 103.6° |
| O5 | C29 | H15 | 109.6° | 111.2° |
| O5 | C29 | H14 | 109.6° | 110.4° |
| C29 | O6 | C27 | 105.9° | 105.3° |
| O6 | C29 | H15 | 109.6° | 110.6° |
| O6 | C29 | H14 | 109.6° | 110.5° |
| C21 | C30 | C2 | 119.9° | 119.9° |
| C21 | C30 | H16 | 120.1° | 120.1° |
| C2 | C30 | H16 | 120.0° | 120.0° |
| C6 | C20 | C15 | 107.0° | 106.3° |
| H10 | C22 | H9 | 109.5° | 109.4° |
| H15 | C29 | H14 | 109.4° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 175.5° | 180.0° |
| O1 | C1 | C2 | C3 | 13.5° | 180.0° |
| O1 | C1 | C2 | C30 | 166.2° | 0.3° |
| O1 | C1 | O2 | H17 | 0.0° | 0.0° |
| O2 | C1 | C2 | C3 | 170.7° | 0.0° |
| O2 | C1 | C2 | C30 | 9.6° | 179.7° |
| C1 | C2 | C3 | C30 | 179.7° | 179.7° |
| C1 | C2 | C3 | C4 | 179.5° | 179.9° |
| C1 | C2 | C30 | C21 | 179.8° | 179.8° |
| C1 | C2 | C3 | H1 | 0.5° | 0.0° |
| C2 | C1 | O2 | H17 | 175.5° | 180.0° |
| C1 | C2 | C30 | H16 | 0.2° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.2° | 0.1° |
| C3 | C2 | C30 | C21 | 0.1° | 0.5° |
| C2 | C3 | C4 | H2 | 178.9° | 180.0° |
| C3 | C2 | C30 | H16 | 179.9° | 179.7° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 176.1° | 180.0° |
| C3 | C4 | C5 | C21 | 1.7° | 0.1° |
| C4 | C3 | C2 | C30 | 0.2° | 0.2° |
| C4 | C5 | C6 | C21 | 174.1° | 179.9° |
| C4 | C5 | C6 | N1 | 40.9° | 138.8° |
| C4 | C5 | C21 | O4 | 177.7° | 180.0° |
| C4 | C5 | C21 | C30 | 1.4° | 0.2° |
| C4 | C5 | C6 | C20 | 129.3° | 41.3° |
| C5 | C4 | C3 | H1 | 178.8° | 180.0° |
| C5 | C6 | N1 | C20 | 172.0° | 180.0° |
| C5 | C6 | N1 | N2 | 176.0° | 180.0° |
| C5 | C6 | C20 | C19 | 6.7° | 0.0° |
| C6 | C5 | C21 | O4 | 3.6° | 0.1° |
| C6 | C5 | C21 | C30 | 175.5° | 179.7° |
| C5 | C6 | C20 | C15 | 173.9° | 180.0° |
| C6 | C5 | C4 | H2 | 3.9° | 0.1° |
| C6 | N1 | N2 | C7 | 179.6° | 180.0° |
| C6 | N1 | N2 | C15 | 3.7° | 0.0° |
| N1 | C6 | C20 | C19 | 177.8° | 179.9° |
| N1 | C6 | C5 | C21 | 144.9° | 41.1° |
| N1 | C6 | C20 | C15 | 2.9° | 0.0° |
| N1 | N2 | C7 | C15 | 175.1° | 180.0° |
| N1 | N2 | C7 | O3 | 165.6° | 85.6° |
| N1 | N2 | C7 | C8 | 18.3° | 94.4° |
| N1 | N2 | C15 | C16 | 178.4° | 180.0° |
| N2 | N1 | C6 | C20 | 4.0° | 0.0° |
| N1 | N2 | C15 | C20 | 1.8° | 0.0° |
| N2 | C7 | O3 | C8 | 175.8° | 180.0° |
| N2 | C7 | C8 | C9 | 57.8° | 6.2° |
| C7 | N2 | C15 | C16 | 2.8° | 0.0° |
| N2 | C7 | C8 | C13 | 123.0° | 174.1° |
| C7 | N2 | C15 | C20 | 177.4° | 180.0° |
| O3 | C7 | C8 | C9 | 118.1° | 173.8° |
| O3 | C7 | N2 | C15 | 19.3° | 94.4° |
| O3 | C7 | C8 | C13 | 61.1° | 5.9° |
| C7 | C8 | C9 | C13 | 179.2° | 179.7° |
| C7 | C8 | C9 | CL1 | 1.2° | 0.0° |
| C7 | C8 | C9 | C10 | 179.6° | 180.0° |
| C7 | C8 | C13 | C12 | 178.8° | 179.7° |
| C7 | C8 | C13 | C14 | 0.9° | 0.0° |
| C8 | C7 | N2 | C15 | 156.8° | 85.6° |
| C8 | C9 | CL1 | C10 | 179.2° | 180.0° |
| C8 | C9 | C10 | C11 | 0.6° | 0.1° |
| C9 | C8 | C13 | C12 | 0.4° | 0.6° |
| C9 | C8 | C13 | C14 | 178.3° | 179.7° |
| C8 | C9 | C10 | H3 | 179.4° | 180.0° |
| CL1 | C9 | C10 | C11 | 179.8° | 179.9° |
| CL1 | C9 | C8 | C13 | 179.6° | 179.7° |
| CL1 | C9 | C10 | H3 | 0.2° | 0.0° |
| C9 | C10 | C11 | H3 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 0.1° |
| C10 | C9 | C8 | C13 | 0.4° | 0.2° |
| C9 | C10 | C11 | H4 | 179.9° | 180.0° |
| C10 | C11 | C12 | H4 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.9° | 0.3° |
| C10 | C11 | C12 | H5 | 179.1° | 179.9° |
| C11 | C12 | C13 | H5 | 180.0° | 179.6° |
| C11 | C12 | C13 | C14 | 179.0° | 179.7° |
| C11 | C12 | C13 | C8 | 1.1° | 0.6° |
| C12 | C11 | C10 | H3 | 179.9° | 180.0° |
| C12 | C13 | C14 | C8 | 177.9° | 179.7° |
| C12 | C13 | C14 | F1 | 139.4° | 0.3° |
| C12 | C13 | C14 | F2 | 101.5° | 120.3° |
| C12 | C13 | C14 | F3 | 17.0° | 119.7° |
| C13 | C12 | C11 | H4 | 179.1° | 179.7° |
| C13 | C14 | F1 | F2 | 122.8° | 120.0° |
| C13 | C14 | F1 | F3 | 125.1° | 120.0° |
| C13 | C14 | F2 | F3 | 122.7° | 120.0° |
| C14 | C13 | C12 | H5 | 1.0° | 0.1° |
| F1 | C14 | F2 | F3 | 113.7° | 119.9° |
| F1 | C14 | C13 | C8 | 42.7° | 180.0° |
| F2 | C14 | C13 | C8 | 76.4° | 60.0° |
| F3 | C14 | C13 | C8 | 165.1° | 60.0° |
| N2 | C15 | C16 | C20 | 179.8° | 180.0° |
| N2 | C15 | C16 | C17 | 178.5° | 180.0° |
| N2 | C15 | C20 | C19 | 180.0° | 180.0° |
| N2 | C15 | C20 | C6 | 0.6° | 0.0° |
| N2 | C15 | C16 | H6 | 1.5° | 0.1° |
| 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 | 179.2° | 180.0° |
| C15 | C16 | C17 | H7 | 178.3° | 180.0° |
| C16 | C17 | C18 | H7 | 180.0° | 179.9° |
| C16 | C17 | C18 | CL2 | 179.7° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.1° |
| C17 | C16 | C15 | C20 | 1.8° | 0.0° |
| C17 | C18 | CL2 | C19 | 179.7° | 179.9° |
| C17 | C18 | C19 | C20 | 1.6° | 0.0° |
| C18 | C17 | C16 | H6 | 178.3° | 180.0° |
| C17 | C18 | C19 | H8 | 178.4° | 179.9° |
| CL2 | C18 | C19 | C20 | 178.7° | 179.9° |
| CL2 | C18 | C17 | H7 | 0.3° | 0.1° |
| CL2 | C18 | C19 | H8 | 1.3° | 0.1° |
| C18 | C19 | C20 | H8 | 180.0° | 180.0° |
| C18 | C19 | C20 | C6 | 179.3° | 180.0° |
| C18 | C19 | C20 | C15 | 1.4° | 0.0° |
| C19 | C18 | C17 | H7 | 180.0° | 180.0° |
| C19 | C20 | C6 | C15 | 179.3° | 180.0° |
| C5 | C21 | O4 | C30 | 179.1° | 179.8° |
| C5 | C21 | O4 | C22 | 172.8° | 174.9° |
| C5 | C21 | C30 | C2 | 0.5° | 0.5° |
| C21 | C5 | C6 | C20 | 44.8° | 138.8° |
| C21 | C5 | C4 | H2 | 178.3° | 180.0° |
| C5 | C21 | C30 | H16 | 179.5° | 179.7° |
| C21 | O4 | C22 | C23 | 168.7° | 175.1° |
| O4 | C21 | C30 | C2 | 178.6° | 179.7° |
| C21 | O4 | C22 | H10 | 72.0° | 64.9° |
| C21 | O4 | C22 | H9 | 49.4° | 55.0° |
| O4 | C21 | C30 | H16 | 1.4° | 0.0° |
| O4 | C22 | C23 | H10 | 119.3° | 120.0° |
| O4 | C22 | C23 | H9 | 119.3° | 120.0° |
| O4 | C22 | C23 | C24 | 60.6° | 5.0° |
| C22 | O4 | C21 | C30 | 8.1° | 4.8° |
| O4 | C22 | C23 | C28 | 120.3° | 175.3° |
| O4 | C22 | H10 | H9 | 122.1° | 120.0° |
| C22 | C23 | C24 | C28 | 179.2° | 179.7° |
| C22 | C23 | C24 | C25 | 178.8° | 180.0° |
| C22 | C23 | C28 | C27 | 178.1° | 179.7° |
| C22 | C23 | C28 | O5 | 0.1° | 0.1° |
| C23 | C22 | H10 | H9 | 122.0° | 120.0° |
| C22 | C23 | C24 | H11 | 1.2° | 0.0° |
| C23 | C24 | C25 | H11 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.4° | 0.1° |
| C24 | C23 | C28 | C27 | 1.1° | 0.6° |
| C24 | C23 | C28 | O5 | 179.0° | 179.8° |
| C24 | C23 | C22 | H10 | 58.7° | 125.1° |
| C24 | C23 | C22 | H9 | 179.9° | 114.9° |
| C23 | C24 | C25 | H12 | 179.6° | 180.0° |
| C24 | C25 | C26 | H12 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 1.3° | 0.1° |
| C25 | C24 | C23 | C28 | 0.3° | 0.3° |
| C24 | C25 | C26 | H13 | 178.7° | 180.0° |
| C25 | C26 | C27 | H13 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 2.1° | 0.2° |
| C25 | C26 | C27 | O6 | 179.3° | 180.0° |
| C26 | C25 | C24 | H11 | 179.6° | 179.9° |
| C26 | C27 | C28 | O6 | 178.9° | 179.8° |
| C26 | C27 | C28 | O5 | 179.7° | 179.7° |
| C26 | C27 | O6 | C29 | 179.9° | 162.1° |
| C26 | C27 | C28 | C23 | 2.0° | 0.6° |
| C27 | C26 | C25 | H12 | 178.8° | 180.0° |
| C27 | C28 | O5 | C23 | 178.1° | 179.7° |
| C27 | C28 | O5 | C29 | 0.0° | 17.6° |
| C28 | C27 | O6 | C29 | 1.3° | 17.6° |
| C28 | C27 | C26 | H13 | 177.9° | 179.7° |
| C28 | O5 | C29 | O6 | 0.8° | 27.6° |
| O5 | C28 | C27 | O6 | 0.9° | 0.1° |
| C28 | O5 | C29 | H15 | 119.1° | 91.1° |
| C28 | O5 | C29 | H14 | 120.7° | 146.0° |
| O5 | C29 | O6 | H15 | 119.9° | 119.2° |
| O5 | C29 | O6 | H14 | 119.9° | 118.2° |
| C29 | O5 | C28 | C23 | 178.1° | 162.7° |
| O5 | C29 | O6 | C27 | 1.3° | 27.6° |
| O5 | C29 | H15 | H14 | 120.3° | 122.9° |
| O6 | C29 | H15 | H14 | 120.2° | 122.7° |
| C21 | C30 | C2 | H16 | 180.0° | 179.8° |
| C30 | C2 | C3 | H1 | 179.8° | 179.7° |
| C6 | C20 | C19 | H8 | 0.7° | 0.1° |
| C23 | C28 | C27 | O6 | 179.1° | 179.7° |
| C28 | C23 | C22 | H10 | 120.5° | 55.2° |
| C28 | C23 | C22 | H9 | 0.9° | 64.8° |
| C28 | C23 | C24 | H11 | 179.7° | 179.7° |
| C8 | C13 | C12 | H5 | 178.9° | 179.7° |
| C20 | C15 | C16 | H6 | 178.2° | 179.9° |
| C15 | C20 | C19 | H8 | 178.6° | 180.0° |
| O6 | C27 | C26 | H13 | 0.7° | 0.0° |
| C27 | O6 | C29 | H15 | 118.6° | 91.5° |
| C27 | O6 | C29 | H14 | 121.2° | 145.8° |
| H1 | C3 | C4 | H2 | 1.1° | 0.0° |
| H3 | C10 | C11 | H4 | 0.1° | 0.1° |
| H4 | C11 | C12 | H5 | 0.9° | 0.0° |
| H6 | C16 | C17 | H7 | 1.7° | 0.1° |
| H11 | C24 | C25 | H12 | 0.4° | 0.0° |
| H12 | C25 | C26 | H13 | 1.2° | 0.0° |
