NRF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C11 | sing | 1.40Å | 1.33Å | |
| F1 | C11 | sing | 1.40Å | 1.32Å | |
| F2 | C11 | sing | 1.40Å | 1.33Å | |
| C11 | C9 | sing | 1.51Å | 1.49Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| O | C3 | doub | 1.22Å | 1.23Å | |
| CL | C2 | sing | 1.74Å | 1.72Å | |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.44Å | |
| C3 | N1 | sing | 1.35Å | 1.42Å | |
| C2 | C1 | doub | 1.38Å | 1.40Å | |
| C5 | N1 | sing | 1.40Å | 1.43Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.37Å | |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.39Å | 1.38Å | |
| C1 | C4 | sing | 1.41Å | 1.48Å | |
| N | C | sing | 1.46Å | 1.45Å | |
| N2 | C4 | doub | 1.30Å | 1.29Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| N | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C11 | F1 | 106.3° | 109.5° |
| F | C11 | F2 | 105.9° | 109.5° |
| F | C11 | C9 | 112.7° | 109.5° |
| F1 | C11 | F2 | 105.7° | 109.5° |
| F1 | C11 | C9 | 112.5° | 109.4° |
| F2 | C11 | C9 | 113.1° | 109.5° |
| C11 | C9 | C10 | 119.9° | 119.9° |
| C11 | C9 | C8 | 120.7° | 120.0° |
| C10 | C9 | C8 | 119.4° | 120.1° |
| C9 | C10 | C5 | 120.5° | 119.9° |
| C9 | C10 | H9 | 119.8° | 120.1° |
| C9 | C8 | C7 | 120.5° | 120.2° |
| C9 | C8 | H8 | 119.8° | 119.9° |
| C10 | C5 | N1 | 119.7° | 120.0° |
| C10 | C5 | C6 | 119.7° | 119.8° |
| C5 | C10 | H9 | 119.8° | 120.0° |
| O | C3 | C2 | 124.4° | 120.2° |
| O | C3 | N1 | 122.5° | 120.2° |
| CL | C2 | C3 | 115.4° | 120.5° |
| CL | C2 | C1 | 120.3° | 120.5° |
| C8 | C7 | C6 | 120.3° | 120.1° |
| C8 | C7 | H7 | 119.8° | 120.0° |
| C7 | C8 | H8 | 119.8° | 119.9° |
| C2 | C3 | N1 | 113.1° | 119.6° |
| C3 | C2 | C1 | 124.2° | 119.0° |
| C3 | N1 | C5 | 121.6° | 119.7° |
| C3 | N1 | N2 | 124.6° | 120.5° |
| C2 | C1 | N | 122.6° | 120.3° |
| C2 | C1 | C4 | 114.5° | 119.4° |
| N1 | C5 | C6 | 120.5° | 120.1° |
| C5 | N1 | N2 | 113.5° | 119.8° |
| C5 | C6 | C7 | 119.7° | 119.9° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| N1 | N2 | C4 | 120.2° | 121.0° |
| C7 | C6 | H6 | 120.2° | 120.1° |
| C6 | C7 | H7 | 119.8° | 119.9° |
| N | C1 | C4 | 122.8° | 120.3° |
| C1 | N | C | 124.3° | 120.0° |
| C1 | N | H10 | 105.7° | 120.0° |
| C1 | C4 | N2 | 123.2° | 120.4° |
| C1 | C4 | H5 | 118.4° | 119.8° |
| N | C | H1 | 109.5° | 109.5° |
| N | C | H2 | 109.5° | 109.5° |
| N | C | H3 | 109.5° | 109.5° |
| C | N | H10 | 105.6° | 120.0° |
| N2 | C4 | H5 | 118.4° | 119.8° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H3 | 109.4° | 109.5° |
| H2 | C | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C11 | F1 | F2 | 112.2° | 120.0° |
| F | C11 | F1 | C9 | 123.9° | 120.0° |
| F | C11 | F2 | C9 | 123.9° | 120.1° |
| F | C11 | C9 | C10 | 26.0° | 90.0° |
| F | C11 | C9 | C8 | 151.6° | 90.5° |
| F1 | C11 | F2 | C9 | 123.5° | 119.9° |
| F1 | C11 | C9 | C10 | 94.3° | 150.0° |
| F1 | C11 | C9 | C8 | 88.1° | 29.5° |
| F2 | C11 | C9 | C10 | 146.1° | 30.0° |
| F2 | C11 | C9 | C8 | 31.5° | 149.5° |
| C11 | C9 | C10 | C8 | 177.6° | 179.5° |
| C11 | C9 | C10 | C5 | 176.6° | 180.0° |
| C11 | C9 | C8 | C7 | 176.0° | 179.7° |
| C11 | C9 | C8 | H8 | 4.0° | 0.3° |
| C11 | C9 | C10 | H9 | 3.4° | 0.5° |
| C9 | C10 | C5 | H9 | 180.0° | 179.5° |
| C10 | C9 | C8 | C7 | 1.6° | 0.2° |
| C9 | C10 | C5 | N1 | 175.4° | 179.7° |
| C9 | C10 | C5 | C6 | 0.5° | 0.5° |
| C10 | C9 | C8 | H8 | 178.4° | 179.8° |
| C8 | C9 | C10 | C5 | 1.0° | 0.5° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.7° | 0.0° |
| C9 | C8 | C7 | H7 | 179.3° | 180.0° |
| C8 | C9 | C10 | H9 | 179.0° | 180.0° |
| C10 | C5 | N1 | C3 | 45.0° | 130.9° |
| C10 | C5 | N1 | C6 | 175.8° | 179.7° |
| C10 | C5 | N1 | N2 | 128.8° | 48.8° |
| C10 | C5 | C6 | C7 | 1.4° | 0.3° |
| C10 | C5 | C6 | H6 | 178.7° | 179.8° |
| O | C3 | C2 | CL | 6.8° | 0.1° |
| O | C3 | C2 | N1 | 178.8° | 180.0° |
| O | C3 | C2 | C1 | 177.1° | 180.0° |
| O | C3 | N1 | C5 | 11.7° | 0.0° |
| O | C3 | N1 | N2 | 175.2° | 179.7° |
| CL | C2 | C3 | C1 | 176.1° | 180.0° |
| CL | C2 | C3 | N1 | 174.4° | 180.0° |
| CL | C2 | C1 | N | 3.0° | 0.0° |
| CL | C2 | C1 | C4 | 176.5° | 179.8° |
| C8 | C7 | C6 | C5 | 0.8° | 0.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | H6 | 179.2° | 179.9° |
| C2 | C3 | N1 | C5 | 169.4° | 180.0° |
| C2 | C3 | N1 | N2 | 3.7° | 0.3° |
| C3 | C2 | C1 | N | 178.9° | 180.0° |
| C3 | C2 | C1 | C4 | 0.6° | 0.2° |
| N1 | C3 | C2 | C1 | 1.7° | 0.0° |
| C3 | N1 | C5 | N2 | 173.8° | 179.7° |
| C3 | N1 | C5 | C6 | 139.1° | 48.8° |
| C3 | N1 | N2 | C4 | 3.2° | 0.4° |
| C2 | C1 | N | C4 | 179.5° | 179.8° |
| C2 | C1 | N | C | 178.0° | 179.7° |
| C2 | C1 | C4 | N2 | 1.4° | 0.2° |
| C2 | C1 | C4 | H5 | 178.6° | 179.7° |
| C2 | C1 | N | H10 | 60.0° | 0.5° |
| N1 | C5 | C6 | C7 | 174.5° | 180.0° |
| C5 | N1 | N2 | C4 | 170.4° | 180.0° |
| N1 | C5 | C6 | H6 | 5.5° | 0.1° |
| N1 | C5 | C10 | H9 | 4.6° | 0.2° |
| C6 | C5 | N1 | N2 | 47.1° | 131.5° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | H7 | 179.2° | 180.0° |
| C6 | C5 | C10 | H9 | 179.5° | 180.0° |
| N1 | N2 | C4 | C1 | 0.4° | 0.1° |
| N1 | N2 | C4 | H5 | 179.7° | 180.0° |
| C6 | C7 | C8 | H8 | 179.3° | 179.9° |
| C1 | N | C | H10 | 122.0° | 179.7° |
| N | C1 | C4 | N2 | 178.1° | 180.0° |
| C1 | N | C | H1 | 180.0° | 179.7° |
| C1 | N | C | H2 | 60.0° | 59.7° |
| C1 | N | C | H3 | 60.0° | 60.3° |
| N | C1 | C4 | H5 | 1.9° | 0.1° |
| C4 | C1 | N | C | 1.5° | 0.0° |
| C1 | C4 | N2 | H5 | 180.0° | 179.9° |
| C4 | C1 | N | H10 | 120.6° | 179.7° |
| N | C | H1 | H2 | 120.0° | 120.0° |
| N | C | H1 | H3 | 120.0° | 120.0° |
| N | C | H2 | H3 | 120.0° | 120.0° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
| H1 | C | N | H10 | 58.0° | 0.0° |
| H2 | C | N | H10 | 178.0° | 120.0° |
| H3 | C | N | H10 | 62.0° | 120.0° |
| H6 | C6 | C7 | H7 | 0.8° | 0.1° |
| H7 | C7 | C8 | H8 | 0.7° | 0.1° |
