FJE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| F1 | C6 | sing | 1.35Å | 1.35Å | |
| C6 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | N | sing | 1.40Å | 1.42Å | |
| C3 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | C9 | sing | 1.48Å | 1.49Å | |
| C8 | F | sing | 1.35Å | 1.34Å | |
| C11 | N1 | sing | 1.35Å | 1.36Å | Aromatic |
| C11 | C10 | doub | 1.37Å | 1.37Å | Aromatic |
| N1 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.47Å | |
| C9 | O2 | doub | 1.22Å | 1.21Å | |
| C10 | C16 | sing | 1.47Å | 1.44Å | Aromatic |
| C12 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | N2 | sing | 1.33Å | 1.33Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| N2 | C13 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | CL | sing | 1.74Å | 1.75Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| N | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 119.1° | 120.2° |
| C5 | C4 | C3 | 119.3° | 120.3° |
| C4 | C5 | H1 | 120.4° | 119.9° |
| C5 | C4 | H3 | 120.4° | 119.9° |
| C5 | C6 | F1 | 118.3° | 120.0° |
| C5 | C6 | C7 | 123.8° | 119.9° |
| C6 | C5 | H1 | 120.4° | 119.9° |
| C4 | C3 | N | 121.5° | 120.0° |
| C4 | C3 | C8 | 119.7° | 120.0° |
| C3 | C4 | H3 | 120.3° | 119.8° |
| F1 | C6 | C7 | 117.9° | 120.1° |
| C6 | C7 | C8 | 115.7° | 119.7° |
| C6 | C7 | C9 | 123.4° | 120.1° |
| N | C3 | C8 | 118.8° | 120.0° |
| C3 | N | H7 | 109.5° | 120.0° |
| C3 | N | H8 | 109.5° | 120.0° |
| C3 | C8 | C7 | 122.4° | 119.7° |
| C3 | C8 | F | 118.1° | 120.1° |
| C8 | C7 | C9 | 120.9° | 120.1° |
| C7 | C8 | F | 119.5° | 120.1° |
| C7 | C9 | C10 | 119.2° | 120.0° |
| C7 | C9 | O2 | 119.9° | 120.0° |
| N1 | C11 | C10 | 110.0° | 109.7° |
| C11 | N1 | C12 | 109.3° | 110.6° |
| C11 | N1 | H2 | 125.4° | 124.7° |
| N1 | C11 | H6 | 125.0° | 125.2° |
| C11 | C10 | C9 | 127.3° | 126.8° |
| C11 | C10 | C16 | 105.8° | 106.3° |
| C10 | C11 | H6 | 125.0° | 125.1° |
| N1 | C12 | C16 | 107.8° | 107.3° |
| N1 | C12 | N2 | 126.3° | 132.9° |
| C12 | N1 | H2 | 125.4° | 124.7° |
| C10 | C9 | O2 | 120.9° | 120.0° |
| C9 | C10 | C16 | 126.9° | 126.8° |
| C10 | C16 | C12 | 107.1° | 106.1° |
| C10 | C16 | C15 | 135.6° | 134.3° |
| C16 | C12 | N2 | 125.9° | 119.8° |
| C12 | C16 | C15 | 117.3° | 119.6° |
| C12 | N2 | C13 | 115.5° | 121.7° |
| C16 | C15 | C14 | 117.5° | 118.1° |
| C16 | C15 | H4 | 121.2° | 121.0° |
| N2 | C13 | C14 | 123.1° | 121.5° |
| N2 | C13 | H5 | 118.4° | 119.2° |
| C15 | C14 | C13 | 120.7° | 119.3° |
| C15 | C14 | CL | 119.2° | 120.4° |
| C14 | C15 | H4 | 121.3° | 120.9° |
| C13 | C14 | CL | 120.1° | 120.3° |
| C14 | C13 | H5 | 118.4° | 119.3° |
| H7 | N | H8 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | H3 | 180.0° | 179.8° |
| C4 | C5 | C6 | F1 | 178.7° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.2° |
| C5 | C4 | C3 | N | 179.9° | 179.9° |
| C5 | C4 | C3 | C8 | 0.2° | 0.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.2° |
| C5 | C6 | F1 | C7 | 178.6° | 179.8° |
| C5 | C6 | C7 | C8 | 0.7° | 0.0° |
| C5 | C6 | C7 | C9 | 179.3° | 180.0° |
| C6 | C5 | C4 | H3 | 179.6° | 180.0° |
| C4 | C3 | N | C8 | 179.9° | 180.0° |
| C4 | C3 | C8 | C7 | 1.2° | 0.2° |
| C4 | C3 | C8 | F | 176.2° | 180.0° |
| C3 | C4 | C5 | H1 | 179.6° | 180.0° |
| C4 | C3 | N | H7 | 180.0° | 0.1° |
| C4 | C3 | N | H8 | 60.0° | 180.0° |
| F1 | C6 | C7 | C8 | 177.8° | 179.8° |
| F1 | C6 | C7 | C9 | 2.2° | 0.2° |
| F1 | C6 | C5 | H1 | 1.3° | 0.2° |
| C6 | C7 | C8 | C3 | 1.3° | 0.2° |
| C6 | C7 | C8 | C9 | 180.0° | 180.0° |
| C6 | C7 | C8 | F | 176.0° | 180.0° |
| C6 | C7 | C9 | C10 | 61.0° | 85.8° |
| C6 | C7 | C9 | O2 | 120.0° | 94.3° |
| C7 | C6 | C5 | H1 | 179.8° | 180.0° |
| N | C3 | C8 | C7 | 178.9° | 179.7° |
| N | C3 | C8 | F | 3.7° | 0.1° |
| N | C3 | C4 | H3 | 0.1° | 0.2° |
| C3 | N | H7 | H8 | 120.0° | 179.9° |
| C3 | C8 | C7 | F | 177.4° | 179.8° |
| C3 | C8 | C7 | C9 | 178.6° | 179.8° |
| C8 | C3 | C4 | H3 | 179.8° | 179.8° |
| C8 | C3 | N | H7 | 0.1° | 180.0° |
| C8 | C3 | N | H8 | 119.9° | 0.1° |
| C8 | C7 | C9 | C10 | 119.0° | 94.2° |
| C8 | C7 | C9 | O2 | 60.0° | 85.7° |
| C9 | C7 | C8 | F | 4.0° | 0.0° |
| C7 | C9 | C10 | C11 | 9.0° | 5.1° |
| C7 | C9 | C10 | O2 | 179.0° | 179.9° |
| C7 | C9 | C10 | C16 | 169.9° | 174.3° |
| N1 | C11 | C10 | H6 | 180.0° | 179.9° |
| C11 | N1 | C12 | H2 | 180.0° | 179.7° |
| N1 | C11 | C10 | C9 | 178.8° | 179.8° |
| N1 | C11 | C10 | C16 | 0.3° | 0.3° |
| C11 | N1 | C12 | C16 | 0.0° | 0.2° |
| C11 | N1 | C12 | N2 | 179.9° | 179.8° |
| C10 | C11 | N1 | C12 | 0.2° | 0.0° |
| C11 | C10 | C9 | C16 | 178.9° | 179.4° |
| C11 | C10 | C9 | O2 | 170.0° | 174.8° |
| C11 | C10 | C16 | C12 | 0.3° | 0.4° |
| C11 | C10 | C16 | C15 | 179.5° | 179.6° |
| C10 | C11 | N1 | H2 | 179.8° | 179.7° |
| N1 | C12 | C16 | C10 | 0.2° | 0.4° |
| N1 | C12 | C16 | N2 | 179.9° | 180.0° |
| N1 | C12 | C16 | C15 | 179.6° | 179.6° |
| N1 | C12 | N2 | C13 | 179.6° | 180.0° |
| C12 | N1 | C11 | H6 | 179.8° | 179.9° |
| C9 | C10 | C16 | C12 | 178.8° | 179.9° |
| C9 | C10 | C16 | C15 | 1.4° | 0.1° |
| C9 | C10 | C11 | H6 | 1.2° | 0.3° |
| O2 | C9 | C10 | C16 | 11.1° | 5.8° |
| C10 | C16 | C12 | C15 | 179.8° | 180.0° |
| C10 | C16 | C12 | N2 | 179.9° | 179.6° |
| C10 | C16 | C15 | C14 | 179.8° | 180.0° |
| C10 | C16 | C15 | H4 | 0.2° | 0.0° |
| C16 | C10 | C11 | H6 | 179.7° | 179.8° |
| C16 | C12 | N2 | C13 | 0.3° | 0.0° |
| C12 | C16 | C15 | C14 | 0.1° | 0.0° |
| C16 | C12 | N1 | H2 | 180.0° | 179.9° |
| C12 | C16 | C15 | H4 | 180.0° | 180.0° |
| N2 | C12 | C16 | C15 | 0.3° | 0.3° |
| C12 | N2 | C13 | C14 | 0.0° | 0.7° |
| N2 | C12 | N1 | H2 | 0.1° | 0.1° |
| C12 | N2 | C13 | H5 | 180.0° | 180.0° |
| C16 | C15 | C14 | H4 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.2° | 0.7° |
| C16 | C15 | C14 | CL | 179.0° | 179.9° |
| N2 | C13 | C14 | C15 | 0.2° | 1.1° |
| N2 | C13 | C14 | H5 | 180.0° | 179.3° |
| N2 | C13 | C14 | CL | 179.0° | 179.6° |
| C15 | C14 | C13 | CL | 178.8° | 179.4° |
| C15 | C14 | C13 | H5 | 179.8° | 179.7° |
| C13 | C14 | C15 | H4 | 179.8° | 179.3° |
| CL | C14 | C15 | H4 | 1.0° | 0.0° |
| CL | C14 | C13 | H5 | 1.0° | 0.3° |
| H1 | C5 | C4 | H3 | 0.4° | 0.1° |
| H2 | N1 | C11 | H6 | 0.2° | 0.2° |
