A1IPS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| C2 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | O6 | sing | 1.43Å | 1.42Å | |
| C30 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C30 | O6 | sing | 1.36Å | 1.39Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| CL2 | C27 | sing | 1.74Å | 1.74Å | |
| C7 | O2 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| O2 | C8 | sing | 1.36Å | 1.36Å | |
| O3 | C11 | doub | 1.21Å | 1.25Å | |
| C28 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.51Å | |
| C11 | O4 | sing | 1.35Å | 1.26Å | |
| C29 | C24 | doub | 1.41Å | 1.40Å | Aromatic |
| C29 | C15 | sing | 1.47Å | 1.43Å | Aromatic |
| C10 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.47Å | |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | N2 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | N1 | doub | 1.31Å | 1.32Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.38Å | Aromatic |
| N2 | C16 | sing | 1.35Å | 1.39Å | |
| O5 | C16 | doub | 1.22Å | 1.21Å | |
| C16 | C17 | sing | 1.48Å | 1.50Å | |
| CL1 | C18 | sing | 1.74Å | 1.73Å | |
| F1 | C23 | sing | 1.40Å | 1.32Å | |
| C17 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | F2 | sing | 1.40Å | 1.32Å | |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| C23 | F3 | sing | 1.40Å | 1.32Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 118.1° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.4° | 109.5° |
| C4 | C3 | C2 | 120.7° | 120.0° |
| C3 | C4 | C5 | 119.6° | 120.1° |
| C4 | C3 | H4 | 119.7° | 120.0° |
| C3 | C4 | H5 | 120.2° | 119.9° |
| C3 | C2 | O1 | 125.2° | 120.1° |
| C3 | C2 | C30 | 119.2° | 119.8° |
| C2 | C3 | H4 | 119.7° | 120.0° |
| C4 | C5 | C6 | 121.4° | 120.2° |
| C5 | C4 | H5 | 120.2° | 119.9° |
| C4 | C5 | H6 | 119.3° | 119.9° |
| O1 | C2 | C30 | 115.6° | 120.1° |
| C2 | C30 | C6 | 120.4° | 119.9° |
| C2 | C30 | O6 | 121.9° | 120.0° |
| C5 | C6 | C30 | 118.7° | 120.0° |
| C5 | C6 | C7 | 120.9° | 120.0° |
| C6 | C5 | H6 | 119.3° | 119.9° |
| C31 | O6 | C30 | 118.7° | 117.0° |
| O6 | C31 | H19 | 109.5° | 109.4° |
| O6 | C31 | H20 | 109.4° | 109.5° |
| O6 | C31 | H21 | 109.5° | 109.5° |
| C6 | C30 | O6 | 117.7° | 120.1° |
| C30 | C6 | C7 | 120.3° | 120.0° |
| C6 | C7 | O2 | 111.4° | 109.5° |
| C6 | C7 | H7 | 109.0° | 109.5° |
| C6 | C7 | H8 | 109.0° | 109.5° |
| CL2 | C27 | C28 | 118.2° | 119.8° |
| CL2 | C27 | C26 | 118.9° | 119.9° |
| C7 | O2 | C8 | 118.1° | 117.0° |
| O2 | C7 | H7 | 109.0° | 109.4° |
| O2 | C7 | H8 | 109.0° | 109.5° |
| C28 | C27 | C26 | 122.9° | 120.4° |
| C27 | C28 | C29 | 117.6° | 119.6° |
| C27 | C28 | H18 | 121.2° | 120.1° |
| C27 | C26 | C25 | 120.0° | 120.6° |
| C27 | C26 | H17 | 120.0° | 119.7° |
| O2 | C8 | C9 | 122.4° | 120.0° |
| O2 | C8 | C14 | 117.4° | 120.1° |
| O3 | C11 | C10 | 117.4° | 120.0° |
| O3 | C11 | O4 | 123.6° | 120.0° |
| C28 | C29 | C24 | 119.5° | 119.9° |
| C28 | C29 | C15 | 133.7° | 133.8° |
| C29 | C28 | H18 | 121.2° | 120.2° |
| C26 | C25 | C24 | 117.8° | 119.9° |
| C26 | C25 | H16 | 121.1° | 120.1° |
| C25 | C26 | H17 | 120.0° | 119.7° |
| C8 | C9 | C10 | 120.5° | 119.9° |
| C9 | C8 | C14 | 120.1° | 119.9° |
| C8 | C9 | H9 | 119.8° | 120.0° |
| C9 | C10 | C11 | 119.3° | 120.0° |
| C9 | C10 | C12 | 119.5° | 120.0° |
| C10 | C9 | H9 | 119.8° | 120.1° |
| C8 | C14 | C15 | 121.7° | 120.0° |
| C8 | C14 | C13 | 118.8° | 120.0° |
| C10 | C11 | O4 | 119.0° | 120.0° |
| C11 | C10 | C12 | 121.2° | 120.0° |
| C11 | O4 | H10 | 109.5° | 117.0° |
| C24 | C29 | C15 | 106.8° | 106.3° |
| C29 | C24 | C25 | 122.1° | 119.6° |
| C29 | C24 | N2 | 105.0° | 106.8° |
| C29 | C15 | C14 | 129.3° | 126.2° |
| C29 | C15 | N1 | 109.8° | 107.6° |
| C10 | C12 | C13 | 120.5° | 120.1° |
| C10 | C12 | H11 | 119.7° | 120.0° |
| C25 | C24 | N2 | 132.9° | 133.6° |
| C24 | C25 | H16 | 121.1° | 120.0° |
| C15 | C14 | C13 | 118.9° | 120.1° |
| C14 | C15 | N1 | 120.3° | 126.2° |
| C14 | C13 | C12 | 120.5° | 120.1° |
| C14 | C13 | H12 | 119.8° | 119.9° |
| C24 | N2 | N1 | 111.1° | 109.2° |
| C24 | N2 | C16 | 127.6° | 125.4° |
| C15 | N1 | N2 | 107.2° | 110.0° |
| C13 | C12 | H11 | 119.7° | 119.9° |
| C12 | C13 | H12 | 119.8° | 120.0° |
| N1 | N2 | C16 | 121.0° | 125.4° |
| N2 | C16 | O5 | 118.2° | 120.0° |
| N2 | C16 | C17 | 116.6° | 120.0° |
| O5 | C16 | C17 | 125.1° | 120.0° |
| C16 | C17 | C18 | 118.9° | 120.2° |
| C16 | C17 | C22 | 122.3° | 120.2° |
| CL1 | C18 | C17 | 121.4° | 120.1° |
| CL1 | C18 | C19 | 117.2° | 120.1° |
| F1 | C23 | F2 | 104.1° | 109.5° |
| F1 | C23 | C22 | 113.7° | 109.5° |
| F1 | C23 | F3 | 107.1° | 109.5° |
| C18 | C17 | C22 | 118.8° | 119.7° |
| C17 | C18 | C19 | 121.4° | 119.8° |
| C17 | C22 | C23 | 121.8° | 120.1° |
| C17 | C22 | C21 | 119.4° | 119.8° |
| C18 | C19 | C20 | 119.3° | 120.2° |
| C18 | C19 | H13 | 120.3° | 119.9° |
| F2 | C23 | C22 | 112.0° | 109.5° |
| F2 | C23 | F3 | 106.2° | 109.4° |
| C22 | C23 | F3 | 113.2° | 109.5° |
| C23 | C22 | C21 | 118.7° | 120.1° |
| C22 | C21 | C20 | 120.4° | 120.2° |
| C22 | C21 | H15 | 119.8° | 119.9° |
| C19 | C20 | C21 | 120.6° | 120.4° |
| C20 | C19 | H13 | 120.4° | 119.9° |
| C19 | C20 | H14 | 119.7° | 119.9° |
| C21 | C20 | H14 | 119.7° | 119.8° |
| C20 | C21 | H15 | 119.8° | 120.0° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H19 | C31 | H20 | 109.5° | 109.5° |
| H19 | C31 | H21 | 109.5° | 109.4° |
| H20 | C31 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 19.2° | 0.3° |
| C1 | O1 | C2 | C30 | 160.3° | 180.0° |
| O1 | C1 | H1 | H2 | 120.0° | 119.9° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C3 | C2 | O1 | 179.9° | 180.0° |
| C4 | C3 | C2 | C30 | 0.7° | 0.3° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | H6 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C3 | C2 | O1 | C30 | 179.5° | 179.8° |
| C3 | C2 | C30 | C6 | 1.9° | 0.5° |
| C3 | C2 | C30 | O6 | 179.9° | 179.7° |
| C2 | C3 | C4 | H5 | 179.6° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C4 | C5 | C6 | C30 | 0.9° | 0.3° |
| C4 | C5 | C6 | C7 | 177.3° | 180.0° |
| C5 | C4 | C3 | H4 | 179.6° | 179.9° |
| O1 | C2 | C30 | C6 | 178.6° | 179.7° |
| O1 | C2 | C30 | O6 | 0.4° | 0.1° |
| C2 | O1 | C1 | H1 | 180.0° | 179.9° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| O1 | C2 | C3 | H4 | 0.1° | 0.1° |
| C2 | C30 | C6 | C5 | 2.0° | 0.6° |
| C2 | C30 | O6 | C31 | 61.1° | 90.1° |
| C2 | C30 | C6 | O6 | 178.2° | 179.8° |
| C2 | C30 | C6 | C7 | 178.4° | 179.7° |
| C30 | C2 | C3 | H4 | 179.3° | 179.8° |
| C5 | C6 | C30 | C7 | 176.4° | 179.7° |
| C5 | C6 | C30 | O6 | 179.7° | 179.7° |
| C5 | C6 | C7 | O2 | 72.8° | 5.0° |
| C6 | C5 | C4 | H5 | 179.7° | 180.0° |
| C5 | C6 | C7 | H7 | 166.9° | 115.0° |
| C5 | C6 | C7 | H8 | 47.5° | 125.0° |
| C31 | O6 | C30 | C6 | 120.7° | 89.7° |
| O6 | C31 | H19 | H20 | 120.0° | 120.1° |
| O6 | C31 | H19 | H21 | 120.0° | 119.9° |
| O6 | C31 | H20 | H21 | 120.0° | 120.0° |
| C30 | C6 | C7 | O2 | 110.8° | 175.3° |
| C30 | C6 | C5 | H6 | 179.0° | 179.8° |
| C30 | C6 | C7 | H7 | 9.4° | 64.8° |
| C30 | C6 | C7 | H8 | 128.9° | 55.2° |
| O6 | C30 | C6 | C7 | 3.3° | 0.1° |
| C30 | O6 | C31 | H19 | 180.0° | 60.1° |
| C30 | O6 | C31 | H20 | 60.0° | 60.0° |
| C30 | O6 | C31 | H21 | 60.0° | 180.0° |
| C6 | C7 | O2 | H7 | 120.3° | 120.0° |
| C6 | C7 | O2 | H8 | 120.3° | 120.0° |
| C6 | C7 | O2 | C8 | 165.6° | 175.1° |
| C7 | C6 | C5 | H6 | 2.6° | 0.0° |
| C6 | C7 | H7 | H8 | 119.1° | 120.0° |
| CL2 | C27 | C28 | C26 | 179.2° | 179.7° |
| CL2 | C27 | C28 | C29 | 178.8° | 180.0° |
| CL2 | C27 | C26 | C25 | 179.5° | 179.7° |
| CL2 | C27 | C26 | H17 | 0.6° | 0.2° |
| CL2 | C27 | C28 | H18 | 1.2° | 0.3° |
| C7 | O2 | C8 | C9 | 5.5° | 5.2° |
| C7 | O2 | C8 | C14 | 170.3° | 175.1° |
| O2 | C7 | H7 | H8 | 119.1° | 120.0° |
| C27 | C28 | C29 | H18 | 180.0° | 179.7° |
| C28 | C27 | C26 | C25 | 0.2° | 0.0° |
| C27 | C28 | C29 | C24 | 1.5° | 0.6° |
| C27 | C28 | C29 | C15 | 178.9° | 179.7° |
| C28 | C27 | C26 | H17 | 179.8° | 180.0° |
| C26 | C27 | C28 | C29 | 2.0° | 0.3° |
| C27 | C26 | C25 | H17 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 1.9° | 0.1° |
| C27 | C26 | C25 | H16 | 178.1° | 179.9° |
| C26 | C27 | C28 | H18 | 178.0° | 180.0° |
| O2 | C8 | C9 | C14 | 175.6° | 179.7° |
| O2 | C8 | C9 | C10 | 177.8° | 180.0° |
| O2 | C8 | C14 | C15 | 8.2° | 0.1° |
| O2 | C8 | C14 | C13 | 179.8° | 179.8° |
| C8 | O2 | C7 | H7 | 45.3° | 64.9° |
| C8 | O2 | C7 | H8 | 74.1° | 55.1° |
| O2 | C8 | C9 | H9 | 2.3° | 0.1° |
| O3 | C11 | C10 | C9 | 4.5° | 0.0° |
| O3 | C11 | C10 | O4 | 177.7° | 180.0° |
| O3 | C11 | C10 | C12 | 176.8° | 179.9° |
| O3 | C11 | O4 | H10 | 0.0° | 0.0° |
| C28 | C29 | C24 | C15 | 179.6° | 179.3° |
| C28 | C29 | C24 | C25 | 0.6° | 0.6° |
| C28 | C29 | C15 | C14 | 6.7° | 0.6° |
| C28 | C29 | C24 | N2 | 179.7° | 179.7° |
| C28 | C29 | C15 | N1 | 177.6° | 179.5° |
| C26 | C25 | C24 | C29 | 2.3° | 0.2° |
| C26 | C25 | C24 | H16 | 180.0° | 180.0° |
| C26 | C25 | C24 | N2 | 178.0° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 178.7° | 180.0° |
| C8 | C9 | C10 | C12 | 0.1° | 0.1° |
| C9 | C8 | C14 | C15 | 176.0° | 179.8° |
| C9 | C8 | C14 | C13 | 4.0° | 0.5° |
| C10 | C9 | C8 | C14 | 2.2° | 0.3° |
| C9 | C10 | C11 | C12 | 178.6° | 180.0° |
| C9 | C10 | C11 | O4 | 173.1° | 180.0° |
| C9 | C10 | C12 | C13 | 0.5° | 0.1° |
| C9 | C10 | C12 | H11 | 179.5° | 179.9° |
| C8 | C14 | C15 | C29 | 41.9° | 130.2° |
| C8 | C14 | C15 | C13 | 172.0° | 179.7° |
| C8 | C14 | C15 | N1 | 148.1° | 49.6° |
| C8 | C14 | C13 | C12 | 3.6° | 0.5° |
| C14 | C8 | C9 | H9 | 177.9° | 179.7° |
| C8 | C14 | C13 | H12 | 176.4° | 179.7° |
| C11 | C10 | C12 | C13 | 179.1° | 180.0° |
| C11 | C10 | C9 | H9 | 1.2° | 0.0° |
| C10 | C11 | O4 | H10 | 177.5° | 180.0° |
| C11 | C10 | C12 | H11 | 0.9° | 0.1° |
| O4 | C11 | C10 | C12 | 5.5° | 0.0° |
| C29 | C24 | C25 | N2 | 179.7° | 179.7° |
| C24 | C29 | C15 | C14 | 173.7° | 179.8° |
| C24 | C29 | C15 | N1 | 2.9° | 0.3° |
| C29 | C24 | N2 | N1 | 1.6° | 0.2° |
| C29 | C24 | N2 | C16 | 175.4° | 179.7° |
| C29 | C24 | C25 | H16 | 177.7° | 179.8° |
| C24 | C29 | C28 | H18 | 178.4° | 179.7° |
| C15 | C29 | C24 | C25 | 179.1° | 179.9° |
| C29 | C15 | C14 | N1 | 170.0° | 179.8° |
| C29 | C15 | C14 | C13 | 130.1° | 49.5° |
| C15 | C29 | C24 | N2 | 0.7° | 0.4° |
| C29 | C15 | N1 | N2 | 3.8° | 0.2° |
| C15 | C29 | C28 | H18 | 1.1° | 0.6° |
| C10 | C12 | C13 | C14 | 1.4° | 0.3° |
| C10 | C12 | C13 | H11 | 180.0° | 179.9° |
| C12 | C10 | C9 | H9 | 179.9° | 180.0° |
| C10 | C12 | C13 | H12 | 178.6° | 180.0° |
| C25 | C24 | N2 | N1 | 178.7° | 180.0° |
| C25 | C24 | N2 | C16 | 4.9° | 0.0° |
| C24 | C25 | C26 | H17 | 178.1° | 180.0° |
| C15 | C14 | C13 | C12 | 175.8° | 179.8° |
| C14 | C15 | N1 | N2 | 175.6° | 180.0° |
| C15 | C14 | C13 | H12 | 4.2° | 0.0° |
| C13 | C14 | C15 | N1 | 39.9° | 130.7° |
| C14 | C13 | C12 | H12 | 180.0° | 179.8° |
| C14 | C13 | C12 | H11 | 178.6° | 179.8° |
| C24 | N2 | N1 | C15 | 3.5° | 0.0° |
| C24 | N2 | N1 | C16 | 174.2° | 180.0° |
| C24 | N2 | C16 | O5 | 20.1° | 85.8° |
| C24 | N2 | C16 | C17 | 156.4° | 94.2° |
| N2 | C24 | C25 | H16 | 2.0° | 0.1° |
| C15 | N1 | N2 | C16 | 177.7° | 179.9° |
| N1 | N2 | C16 | O5 | 166.7° | 94.1° |
| N1 | N2 | C16 | C17 | 16.8° | 85.8° |
| N2 | C16 | O5 | C17 | 176.2° | 179.9° |
| N2 | C16 | C17 | C18 | 57.8° | 4.5° |
| N2 | C16 | C17 | C22 | 121.1° | 175.7° |
| O5 | C16 | C17 | C18 | 118.5° | 175.4° |
| O5 | C16 | C17 | C22 | 62.7° | 4.4° |
| C16 | C17 | C18 | CL1 | 1.7° | 0.0° |
| C16 | C17 | C18 | C22 | 178.9° | 179.8° |
| C16 | C17 | C18 | C19 | 180.0° | 180.0° |
| C16 | C17 | C22 | C23 | 2.6° | 0.0° |
| C16 | C17 | C22 | C21 | 179.6° | 179.7° |
| CL1 | C18 | C17 | C19 | 178.3° | 180.0° |
| CL1 | C18 | C17 | C22 | 179.4° | 179.8° |
| CL1 | C18 | C19 | C20 | 178.8° | 180.0° |
| CL1 | C18 | C19 | H13 | 1.2° | 0.0° |
| F1 | C23 | C22 | C17 | 42.7° | 60.0° |
| F1 | C23 | F2 | C22 | 123.2° | 120.0° |
| F1 | C23 | F2 | F3 | 112.8° | 120.0° |
| F1 | C23 | C22 | F3 | 122.4° | 120.0° |
| F1 | C23 | C22 | C21 | 140.3° | 119.7° |
| C18 | C17 | C22 | C23 | 178.5° | 179.7° |
| C18 | C17 | C22 | C21 | 1.5° | 0.5° |
| C17 | C18 | C19 | C20 | 0.4° | 0.0° |
| C17 | C18 | C19 | H13 | 179.6° | 179.9° |
| C22 | C17 | C18 | C19 | 1.1° | 0.2° |
| C17 | C22 | C23 | F2 | 75.0° | 180.0° |
| C17 | C22 | C23 | C21 | 177.0° | 179.7° |
| C17 | C22 | C23 | F3 | 165.1° | 60.0° |
| C17 | C22 | C21 | C20 | 1.2° | 0.6° |
| C17 | C22 | C21 | H15 | 178.8° | 179.7° |
| C18 | C19 | C20 | H13 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H14 | 180.0° | 180.0° |
| F2 | C23 | C22 | F3 | 119.9° | 120.0° |
| F2 | C23 | C22 | C21 | 102.0° | 0.3° |
| C23 | C22 | C21 | C20 | 178.3° | 179.7° |
| C23 | C22 | C21 | H15 | 1.7° | 0.0° |
| F3 | C23 | C22 | C21 | 17.9° | 120.2° |
| C22 | C21 | C20 | C19 | 0.5° | 0.3° |
| C22 | C21 | C20 | H15 | 180.0° | 179.7° |
| C22 | C21 | C20 | H14 | 179.5° | 179.7° |
| C19 | C20 | C21 | H14 | 180.0° | 180.0° |
| C19 | C20 | C21 | H15 | 179.5° | 180.0° |
| C21 | C20 | C19 | H13 | 180.0° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 0.4° | 0.1° |
| H5 | C4 | C5 | H6 | 0.3° | 0.0° |
| H11 | C12 | C13 | H12 | 1.4° | 0.1° |
| H13 | C19 | C20 | H14 | 0.0° | 0.0° |
| H14 | C20 | C21 | H15 | 0.5° | 0.0° |
| H16 | C25 | C26 | H17 | 1.9° | 0.0° |
| H19 | C31 | H20 | H21 | 120.0° | 120.0° |
