7OF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C8 | sing | 1.74Å | 1.74Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| N3 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| F1 | C2 | sing | 1.40Å | 1.30Å | |
| F3 | C2 | sing | 1.40Å | 1.35Å | |
| C9 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C2 | F2 | sing | 1.40Å | 1.34Å | |
| C2 | C1 | sing | 1.51Å | 1.55Å | |
| C4 | N2 | sing | 1.46Å | 1.46Å | |
| C1 | N1 | sing | 1.32Å | 1.35Å | |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| N1 | C3 | doub | 1.34Å | 1.37Å | |
| N2 | C3 | sing | 1.36Å | 1.40Å | |
| N2 | C10 | sing | 1.36Å | 1.36Å | |
| C3 | C13 | sing | 1.40Å | 1.40Å | |
| C10 | C11 | doub | 1.36Å | 1.35Å | |
| C13 | C12 | doub | 1.37Å | 1.37Å | |
| C11 | C12 | sing | 1.40Å | 1.42Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C8 | C7 | 119.8° | 119.6° |
| CL1 | C8 | N3 | 115.5° | 119.6° |
| C7 | C8 | N3 | 124.7° | 120.7° |
| C8 | C7 | C6 | 118.1° | 119.1° |
| C8 | C7 | H9 | 121.0° | 120.5° |
| C8 | N3 | C9 | 116.5° | 121.7° |
| C7 | C6 | C5 | 119.7° | 118.5° |
| C7 | C6 | H3 | 120.1° | 120.8° |
| C6 | C7 | H9 | 121.0° | 120.4° |
| N3 | C9 | C5 | 123.5° | 120.7° |
| N3 | C9 | H4 | 118.2° | 119.6° |
| C6 | C5 | C9 | 117.5° | 119.2° |
| C6 | C5 | C4 | 122.6° | 120.4° |
| C5 | C6 | H3 | 120.2° | 120.8° |
| F1 | C2 | F3 | 107.4° | 109.5° |
| F1 | C2 | F2 | 106.0° | 109.5° |
| F1 | C2 | C1 | 115.5° | 109.4° |
| F3 | C2 | F2 | 105.8° | 109.5° |
| F3 | C2 | C1 | 110.6° | 109.5° |
| C9 | C5 | C4 | 119.9° | 120.4° |
| C5 | C9 | H4 | 118.2° | 119.6° |
| C5 | C4 | N2 | 111.6° | 109.4° |
| C5 | C4 | H1 | 108.9° | 109.5° |
| C5 | C4 | H2 | 108.9° | 109.5° |
| F2 | C2 | C1 | 110.9° | 109.5° |
| C2 | C1 | N1 | 108.8° | 120.0° |
| C2 | C1 | O1 | 118.7° | 120.0° |
| C4 | N2 | C3 | 119.3° | 119.7° |
| C4 | N2 | C10 | 119.6° | 119.7° |
| N2 | C4 | H1 | 108.9° | 109.4° |
| N2 | C4 | H2 | 108.9° | 109.5° |
| N1 | C1 | O1 | 132.5° | 120.0° |
| C1 | N1 | C3 | 122.1° | 120.0° |
| N1 | C3 | N2 | 112.6° | 120.0° |
| N1 | C3 | C13 | 131.1° | 120.1° |
| C3 | N2 | C10 | 121.1° | 120.6° |
| N2 | C3 | C13 | 116.3° | 119.9° |
| N2 | C10 | C11 | 122.9° | 120.7° |
| N2 | C10 | H5 | 118.6° | 119.7° |
| C3 | C13 | C12 | 122.1° | 119.3° |
| C3 | C13 | H8 | 119.0° | 120.4° |
| C10 | C11 | C12 | 118.0° | 120.1° |
| C11 | C10 | H5 | 118.6° | 119.7° |
| C10 | C11 | H6 | 121.0° | 119.9° |
| C13 | C12 | C11 | 119.7° | 119.4° |
| C13 | C12 | H7 | 120.2° | 120.3° |
| C12 | C13 | H8 | 119.0° | 120.3° |
| C12 | C11 | H6 | 121.0° | 120.0° |
| C11 | C12 | H7 | 120.2° | 120.3° |
| H1 | C4 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C8 | C7 | N3 | 179.7° | 179.9° |
| CL1 | C8 | C7 | C6 | 179.9° | 180.0° |
| CL1 | C8 | N3 | C9 | 179.8° | 180.0° |
| CL1 | C8 | C7 | H9 | 0.1° | 0.1° |
| C8 | C7 | C6 | H9 | 180.0° | 179.9° |
| C7 | C8 | N3 | C9 | 0.5° | 0.1° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C8 | C7 | C6 | H3 | 179.9° | 179.9° |
| N3 | C8 | C7 | C6 | 0.4° | 0.1° |
| C8 | N3 | C9 | C5 | 0.4° | 0.0° |
| C8 | N3 | C9 | H4 | 179.6° | 180.0° |
| N3 | C8 | C7 | H9 | 179.6° | 180.0° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | C9 | 0.1° | 0.0° |
| C7 | C6 | C5 | C4 | 179.6° | 179.9° |
| N3 | C9 | C5 | C6 | 0.2° | 0.0° |
| N3 | C9 | C5 | H4 | 180.0° | 180.0° |
| N3 | C9 | C5 | C4 | 179.7° | 180.0° |
| C6 | C5 | C9 | C4 | 179.5° | 180.0° |
| C6 | C5 | C4 | N2 | 110.0° | 90.0° |
| C6 | C5 | C4 | H1 | 10.4° | 150.0° |
| C6 | C5 | C4 | H2 | 129.7° | 30.0° |
| C6 | C5 | C9 | H4 | 179.8° | 180.0° |
| C5 | C6 | C7 | H9 | 179.8° | 179.9° |
| F1 | C2 | F3 | F2 | 113.0° | 120.0° |
| F1 | C2 | F3 | C1 | 126.8° | 120.0° |
| F1 | C2 | F2 | C1 | 126.1° | 120.0° |
| F1 | C2 | C1 | N1 | 29.7° | 60.0° |
| F1 | C2 | C1 | O1 | 149.5° | 120.3° |
| F3 | C2 | F2 | C1 | 120.0° | 120.0° |
| F3 | C2 | C1 | N1 | 152.0° | 60.0° |
| F3 | C2 | C1 | O1 | 27.2° | 119.7° |
| C9 | C5 | C4 | N2 | 69.5° | 90.0° |
| C9 | C5 | C4 | H1 | 170.2° | 29.9° |
| C9 | C5 | C4 | H2 | 50.8° | 150.0° |
| C9 | C5 | C6 | H3 | 179.9° | 180.0° |
| C5 | C4 | N2 | H1 | 120.3° | 119.9° |
| C5 | C4 | N2 | H2 | 120.3° | 120.0° |
| C5 | C4 | N2 | C3 | 66.7° | 90.0° |
| C5 | C4 | N2 | C10 | 111.3° | 90.6° |
| C5 | C4 | H1 | H2 | 119.0° | 120.0° |
| C4 | C5 | C6 | H3 | 0.4° | 0.1° |
| C4 | C5 | C9 | H4 | 0.3° | 0.0° |
| F2 | C2 | C1 | N1 | 90.9° | 180.0° |
| F2 | C2 | C1 | O1 | 89.9° | 0.3° |
| C2 | C1 | N1 | O1 | 179.1° | 179.7° |
| C2 | C1 | N1 | C3 | 158.3° | 127.2° |
| C4 | N2 | C3 | N1 | 1.8° | 0.0° |
| C4 | N2 | C3 | C10 | 177.9° | 179.4° |
| C4 | N2 | C3 | C13 | 179.0° | 180.0° |
| C4 | N2 | C10 | C11 | 178.8° | 180.0° |
| N2 | C4 | H1 | H2 | 119.0° | 120.0° |
| C4 | N2 | C10 | H5 | 1.2° | 0.3° |
| C1 | N1 | C3 | N2 | 172.0° | 174.0° |
| C1 | N1 | C3 | C13 | 8.9° | 6.1° |
| O1 | C1 | N1 | C3 | 22.6° | 53.1° |
| N1 | C3 | N2 | C13 | 179.2° | 179.9° |
| N1 | C3 | N2 | C10 | 179.7° | 179.4° |
| N1 | C3 | C13 | C12 | 179.5° | 179.7° |
| N1 | C3 | C13 | H8 | 0.5° | 0.3° |
| C3 | N2 | C10 | C11 | 0.9° | 0.6° |
| N2 | C3 | C13 | C12 | 0.5° | 0.3° |
| C3 | N2 | C4 | H1 | 53.6° | 30.0° |
| C3 | N2 | C4 | H2 | 173.0° | 150.0° |
| C3 | N2 | C10 | H5 | 179.1° | 179.7° |
| N2 | C3 | C13 | H8 | 179.5° | 179.7° |
| C10 | N2 | C3 | C13 | 1.1° | 0.6° |
| N2 | C10 | C11 | H5 | 180.0° | 179.7° |
| N2 | C10 | C11 | C12 | 0.1° | 0.3° |
| C10 | N2 | C4 | H1 | 128.4° | 149.4° |
| C10 | N2 | C4 | H2 | 9.1° | 29.4° |
| N2 | C10 | C11 | H6 | 179.9° | 179.7° |
| C3 | C13 | C12 | H8 | 180.0° | 180.0° |
| C3 | C13 | C12 | C11 | 0.3° | 0.0° |
| C3 | C13 | C12 | H7 | 179.7° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C10 | C11 | C12 | H7 | 179.5° | 180.0° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C13 | C12 | C11 | H6 | 179.5° | 180.0° |
| C12 | C11 | C10 | H5 | 180.0° | 180.0° |
| C11 | C12 | C13 | H8 | 179.7° | 180.0° |
| H3 | C6 | C7 | H9 | 0.2° | 0.1° |
| H5 | C10 | C11 | H6 | 0.1° | 0.0° |
| H6 | C11 | C12 | H7 | 0.5° | 0.0° |
| H7 | C12 | C13 | H8 | 0.3° | 0.0° |
