CF1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | O23 | sing | 1.35Å | 1.25Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| O24 | C23 | doub | 1.21Å | 1.25Å | |
| C23 | C21 | sing | 1.47Å | 1.51Å | |
| C5 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| O1 | C4 | sing | 1.36Å | 1.38Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C3 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | N1 | sing | 1.39Å | 1.36Å | |
| N1 | C9 | sing | 1.40Å | 1.37Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C9 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| CL1 | C10 | sing | 1.74Å | 1.77Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| F3 | C14 | sing | 1.40Å | 1.31Å | |
| F2 | C14 | sing | 1.40Å | 1.32Å | |
| C14 | F1 | sing | 1.40Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | O23 | HO23 | 109.5° | 117.0° |
| O23 | C23 | O24 | 120.4° | 120.0° |
| O23 | C23 | C21 | 119.5° | 120.0° |
| O24 | C23 | C21 | 120.0° | 120.0° |
| C23 | C21 | C5 | 119.7° | 120.2° |
| C23 | C21 | C7 | 120.7° | 120.2° |
| C5 | C21 | C7 | 119.6° | 119.6° |
| C21 | C5 | C4 | 120.1° | 119.9° |
| C21 | C5 | H5 | 119.9° | 120.1° |
| C21 | C7 | C8 | 120.1° | 119.8° |
| C21 | C7 | N1 | 119.0° | 120.1° |
| C4 | C5 | H5 | 119.9° | 120.1° |
| C5 | C4 | O1 | 120.3° | 119.9° |
| C5 | C4 | C3 | 120.1° | 120.3° |
| O1 | C4 | C3 | 119.6° | 119.9° |
| C4 | O1 | C2 | 121.0° | 117.0° |
| C4 | C3 | C8 | 120.1° | 120.4° |
| C4 | C3 | H3 | 120.0° | 119.8° |
| O1 | C2 | H2 | 109.5° | 109.5° |
| O1 | C2 | H2A | 109.5° | 109.5° |
| O1 | C2 | H2B | 109.4° | 109.5° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| H2 | C2 | H2B | 109.5° | 109.4° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| C8 | C3 | H3 | 119.9° | 119.8° |
| C3 | C8 | C7 | 120.0° | 120.1° |
| C3 | C8 | H8 | 120.0° | 119.9° |
| C7 | C8 | H8 | 120.0° | 120.0° |
| C8 | C7 | N1 | 120.9° | 120.1° |
| C7 | N1 | C9 | 127.4° | 119.9° |
| C7 | N1 | HN1 | 116.3° | 120.0° |
| C9 | N1 | HN1 | 116.3° | 120.1° |
| N1 | C9 | C15 | 124.1° | 120.1° |
| N1 | C9 | C10 | 116.9° | 120.0° |
| C15 | C9 | C10 | 119.0° | 119.8° |
| C9 | C15 | C13 | 119.5° | 119.9° |
| C9 | C15 | H15 | 120.2° | 120.0° |
| C9 | C10 | CL1 | 118.9° | 120.1° |
| C9 | C10 | C11 | 121.7° | 119.9° |
| CL1 | C10 | C11 | 119.4° | 120.0° |
| C10 | C11 | C12 | 119.6° | 120.0° |
| C10 | C11 | H11 | 120.2° | 120.0° |
| C12 | C11 | H11 | 120.2° | 120.0° |
| C11 | C12 | C13 | 119.7° | 120.2° |
| C11 | C12 | H12 | 120.1° | 119.9° |
| C13 | C12 | H12 | 120.2° | 119.9° |
| C12 | C13 | C15 | 120.5° | 120.1° |
| C12 | C13 | C14 | 118.0° | 119.9° |
| C13 | C15 | H15 | 120.3° | 120.1° |
| C15 | C13 | C14 | 121.5° | 119.9° |
| C13 | C14 | F3 | 108.9° | 109.5° |
| C13 | C14 | F2 | 111.8° | 109.4° |
| C13 | C14 | F1 | 108.3° | 109.5° |
| F3 | C14 | F2 | 108.7° | 109.5° |
| F3 | C14 | F1 | 109.4° | 109.5° |
| F2 | C14 | F1 | 109.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C23 | O24 | C21 | 180.0° | 180.0° |
| O23 | C23 | C21 | C5 | 179.9° | 2.3° |
| O23 | C23 | C21 | C7 | 1.1° | 177.4° |
| HO23 | O23 | C23 | O24 | 0.0° | 0.0° |
| HO23 | O23 | C23 | C21 | 179.9° | 180.0° |
| O24 | C23 | C21 | C5 | 0.1° | 177.7° |
| O24 | C23 | C21 | C7 | 179.0° | 2.6° |
| C23 | C21 | C5 | C7 | 179.0° | 179.7° |
| C23 | C21 | C5 | C4 | 179.9° | 180.0° |
| C23 | C21 | C5 | H5 | 0.1° | 0.1° |
| C23 | C21 | C7 | C8 | 179.2° | 179.8° |
| C23 | C21 | C7 | N1 | 2.3° | 0.0° |
| C21 | C5 | C4 | H5 | 180.0° | 179.9° |
| C21 | C5 | C4 | O1 | 180.0° | 180.0° |
| C21 | C5 | C4 | C3 | 0.5° | 0.1° |
| C5 | C21 | C7 | C8 | 1.8° | 0.5° |
| C5 | C21 | C7 | N1 | 176.7° | 179.6° |
| C7 | C21 | C5 | C4 | 1.1° | 0.3° |
| C7 | C21 | C5 | H5 | 179.0° | 179.8° |
| C21 | C7 | C8 | C3 | 1.9° | 0.5° |
| C21 | C7 | C8 | N1 | 178.5° | 179.8° |
| C21 | C7 | C8 | H8 | 178.1° | 179.7° |
| C21 | C7 | N1 | C9 | 137.5° | 81.1° |
| C21 | C7 | N1 | HN1 | 42.5° | 98.9° |
| C5 | C4 | O1 | C3 | 179.5° | 179.9° |
| C5 | C4 | O1 | C2 | 71.6° | 180.0° |
| C5 | C4 | C3 | C8 | 0.6° | 0.0° |
| C5 | C4 | C3 | H3 | 179.4° | 180.0° |
| H5 | C5 | C4 | O1 | 0.0° | 0.1° |
| H5 | C5 | C4 | C3 | 179.5° | 180.0° |
| C4 | O1 | C2 | H2 | 115.3° | 60.1° |
| C4 | O1 | C2 | H2A | 4.7° | 60.0° |
| C4 | O1 | C2 | H2B | 124.7° | 180.0° |
| O1 | C4 | C3 | C8 | 179.9° | 180.0° |
| O1 | C4 | C3 | H3 | 0.1° | 0.1° |
| C3 | C4 | O1 | C2 | 108.9° | 0.1° |
| C4 | C3 | C8 | H3 | 180.0° | 180.0° |
| C4 | C3 | C8 | C7 | 1.3° | 0.3° |
| C4 | C3 | C8 | H8 | 178.6° | 180.0° |
| O1 | C2 | H2 | H2A | 120.0° | 120.1° |
| O1 | C2 | H2 | H2B | 120.0° | 120.0° |
| O1 | C2 | H2A | H2B | 120.0° | 120.0° |
| H2 | C2 | H2A | H2B | 120.0° | 119.9° |
| C3 | C8 | C7 | H8 | 180.0° | 179.8° |
| C3 | C8 | C7 | N1 | 176.5° | 179.7° |
| H3 | C3 | C8 | C7 | 178.6° | 179.8° |
| H3 | C3 | C8 | H8 | 1.4° | 0.0° |
| C8 | C7 | N1 | C9 | 41.0° | 98.7° |
| C8 | C7 | N1 | HN1 | 139.0° | 81.3° |
| H8 | C8 | C7 | N1 | 3.5° | 0.1° |
| C7 | N1 | C9 | HN1 | 180.0° | 180.0° |
| C7 | N1 | C9 | C15 | 7.2° | 5.5° |
| C7 | N1 | C9 | C10 | 173.6° | 174.3° |
| N1 | C9 | C15 | C10 | 179.1° | 179.8° |
| N1 | C9 | C10 | CL1 | 0.3° | 0.1° |
| N1 | C9 | C10 | C11 | 179.4° | 180.0° |
| N1 | C9 | C15 | C13 | 179.6° | 179.7° |
| N1 | C9 | C15 | H15 | 0.4° | 0.1° |
| HN1 | N1 | C9 | C15 | 172.8° | 174.5° |
| HN1 | N1 | C9 | C10 | 6.4° | 5.7° |
| C15 | C9 | C10 | CL1 | 179.5° | 179.8° |
| C15 | C9 | C10 | C11 | 0.2° | 0.2° |
| C9 | C15 | C13 | C12 | 0.1° | 0.5° |
| C9 | C15 | C13 | H15 | 180.0° | 179.8° |
| C9 | C15 | C13 | C14 | 179.4° | 180.0° |
| C9 | C10 | CL1 | C11 | 179.7° | 179.9° |
| C9 | C10 | C11 | C12 | 0.4° | 0.1° |
| C9 | C10 | C11 | H11 | 179.6° | 180.0° |
| C10 | C9 | C15 | C13 | 0.5° | 0.4° |
| C10 | C9 | C15 | H15 | 179.5° | 179.8° |
| CL1 | C10 | C11 | C12 | 179.9° | 180.0° |
| CL1 | C10 | C11 | H11 | 0.1° | 0.1° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.8° | 0.0° |
| C10 | C11 | C12 | H12 | 179.2° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C15 | 0.6° | 0.3° |
| C11 | C12 | C13 | C14 | 179.9° | 179.8° |
| H11 | C11 | C12 | C13 | 179.2° | 179.9° |
| H11 | C11 | C12 | H12 | 0.8° | 0.0° |
| C12 | C13 | C15 | C14 | 179.5° | 179.5° |
| C12 | C13 | C15 | H15 | 179.9° | 179.7° |
| C12 | C13 | C14 | F3 | 64.8° | 29.4° |
| C12 | C13 | C14 | F2 | 175.0° | 149.4° |
| C12 | C13 | C14 | F1 | 54.0° | 90.6° |
| H12 | C12 | C13 | C15 | 179.4° | 179.8° |
| H12 | C12 | C13 | C14 | 0.1° | 0.3° |
| C15 | C13 | C14 | F3 | 115.7° | 150.0° |
| C15 | C13 | C14 | F2 | 4.5° | 30.0° |
| C15 | C13 | C14 | F1 | 125.4° | 89.9° |
| H15 | C15 | C13 | C14 | 0.6° | 0.2° |
| C13 | C14 | F3 | F2 | 122.0° | 120.0° |
| C13 | C14 | F3 | F1 | 118.2° | 120.0° |
| C13 | C14 | F2 | F1 | 120.2° | 120.0° |
| F3 | C14 | F2 | F1 | 119.6° | 120.0° |
