FSK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.51Å | 1.48Å | |
| O2 | C2 | doub | 1.22Å | 1.23Å | |
| C14 | C12 | sing | 1.51Å | 1.50Å | |
| C14 | F | sing | 1.40Å | 1.35Å | |
| C13 | O3 | sing | 1.43Å | 1.40Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.41Å | 1.45Å | |
| C3 | C5 | doub | 1.37Å | 1.36Å | |
| C12 | C11 | doub | 1.33Å | 1.34Å | |
| C2 | N2 | sing | 1.35Å | 1.40Å | |
| C11 | C5 | sing | 1.47Å | 1.49Å | |
| C5 | N1 | sing | 1.38Å | 1.41Å | |
| N2 | C1 | sing | 1.35Å | 1.40Å | |
| N1 | C1 | sing | 1.35Å | 1.42Å | |
| N1 | C6 | sing | 1.47Å | 1.49Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 114.1° | 120.5° |
| C4 | C3 | C5 | 123.3° | 120.6° |
| C3 | C4 | H5 | 109.5° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H7 | 109.5° | 109.4° |
| O2 | C2 | C3 | 127.6° | 120.2° |
| O2 | C2 | N2 | 117.0° | 120.2° |
| C12 | C14 | F | 107.2° | 109.5° |
| C14 | C12 | C13 | 112.1° | 120.0° |
| C14 | C12 | C11 | 121.8° | 120.0° |
| C12 | C14 | H9 | 110.0° | 109.5° |
| C12 | C14 | H10 | 110.1° | 109.4° |
| F | C14 | H9 | 110.1° | 109.5° |
| F | C14 | H10 | 110.0° | 109.5° |
| O3 | C13 | C12 | 107.5° | 109.4° |
| O3 | C13 | H11 | 110.0° | 109.5° |
| O3 | C13 | H12 | 110.0° | 109.5° |
| C13 | O3 | H13 | 109.5° | 114.0° |
| C13 | C12 | C11 | 125.8° | 120.0° |
| C12 | C13 | H11 | 110.0° | 109.5° |
| C12 | C13 | H12 | 110.0° | 109.4° |
| C2 | C3 | C5 | 122.6° | 118.9° |
| C3 | C2 | N2 | 115.4° | 119.6° |
| C3 | C5 | C11 | 121.3° | 120.3° |
| C3 | C5 | N1 | 119.5° | 119.3° |
| C12 | C11 | C5 | 126.6° | 120.0° |
| C12 | C11 | H8 | 116.7° | 120.0° |
| C2 | N2 | C1 | 123.6° | 120.6° |
| C2 | N2 | H4 | 118.2° | 119.7° |
| C11 | C5 | N1 | 119.1° | 120.4° |
| C5 | C11 | H8 | 116.7° | 120.0° |
| C5 | N1 | C1 | 120.7° | 120.4° |
| C5 | N1 | C6 | 124.7° | 119.8° |
| N2 | C1 | N1 | 118.2° | 121.0° |
| N2 | C1 | O1 | 119.7° | 119.5° |
| C1 | N2 | H4 | 118.2° | 119.7° |
| C1 | N1 | C6 | 114.6° | 119.8° |
| N1 | C1 | O1 | 122.2° | 119.5° |
| N1 | C6 | H1 | 109.5° | 109.5° |
| N1 | C6 | H2 | 109.5° | 109.5° |
| N1 | C6 | H3 | 109.5° | 109.5° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H1 | C6 | H3 | 109.5° | 109.4° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H5 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.4° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | O2 | 0.5° | 0.0° |
| C4 | C3 | C2 | C5 | 179.9° | 179.8° |
| C4 | C3 | C2 | N2 | 179.8° | 179.4° |
| C4 | C3 | C5 | C11 | 0.9° | 0.3° |
| C4 | C3 | C5 | N1 | 179.5° | 179.7° |
| C3 | C4 | H5 | H6 | 120.0° | 120.0° |
| C3 | C4 | H5 | H7 | 120.0° | 120.0° |
| C3 | C4 | H6 | H7 | 120.0° | 120.0° |
| O2 | C2 | C3 | N2 | 179.3° | 179.5° |
| O2 | C2 | C3 | C5 | 179.4° | 179.8° |
| O2 | C2 | N2 | C1 | 179.8° | 180.0° |
| O2 | C2 | N2 | H4 | 0.2° | 0.1° |
| C12 | C14 | F | H9 | 119.7° | 120.0° |
| C12 | C14 | F | H10 | 119.7° | 120.0° |
| C14 | C12 | C13 | O3 | 169.6° | 180.0° |
| C14 | C12 | C13 | C11 | 173.8° | 180.0° |
| C14 | C12 | C11 | C5 | 13.5° | 7.4° |
| C14 | C12 | C11 | H8 | 166.6° | 172.6° |
| C12 | C14 | H9 | H10 | 121.1° | 119.9° |
| C14 | C12 | C13 | H11 | 70.7° | 60.0° |
| C14 | C12 | C13 | H12 | 49.9° | 60.0° |
| F | C14 | C12 | C13 | 67.6° | 71.6° |
| F | C14 | C12 | C11 | 106.4° | 108.4° |
| F | C14 | H9 | H10 | 121.1° | 120.0° |
| O3 | C13 | C12 | H11 | 119.7° | 120.0° |
| O3 | C13 | C12 | H12 | 119.7° | 120.0° |
| O3 | C13 | C12 | C11 | 16.6° | 0.0° |
| O3 | C13 | H11 | H12 | 120.9° | 120.1° |
| C13 | C12 | C11 | C5 | 173.3° | 172.6° |
| C13 | C12 | C11 | H8 | 6.7° | 7.4° |
| C13 | C12 | C14 | H9 | 52.0° | 48.4° |
| C13 | C12 | C14 | H10 | 172.7° | 168.4° |
| C12 | C13 | H11 | H12 | 120.9° | 120.0° |
| C12 | C13 | O3 | H13 | 180.0° | 180.0° |
| C2 | C3 | C5 | C11 | 179.2° | 179.5° |
| C2 | C3 | C5 | N1 | 0.7° | 0.5° |
| C3 | C2 | N2 | C1 | 0.8° | 0.5° |
| C3 | C2 | N2 | H4 | 179.2° | 179.4° |
| C2 | C3 | C4 | H5 | 180.0° | 0.0° |
| C2 | C3 | C4 | H6 | 60.0° | 120.0° |
| C2 | C3 | C4 | H7 | 60.0° | 120.0° |
| C3 | C5 | C11 | C12 | 105.7° | 69.5° |
| C5 | C3 | C2 | N2 | 0.1° | 0.8° |
| C3 | C5 | C11 | N1 | 178.5° | 180.0° |
| C3 | C5 | N1 | C1 | 0.8° | 0.1° |
| C3 | C5 | N1 | C6 | 178.8° | 179.7° |
| C5 | C3 | C4 | H5 | 0.1° | 179.8° |
| C5 | C3 | C4 | H6 | 120.1° | 60.2° |
| C5 | C3 | C4 | H7 | 119.9° | 59.8° |
| C3 | C5 | C11 | H8 | 74.3° | 110.6° |
| C12 | C11 | C5 | H8 | 180.0° | 180.0° |
| C12 | C11 | C5 | N1 | 75.8° | 110.5° |
| C11 | C12 | C14 | H9 | 133.9° | 131.6° |
| C11 | C12 | C14 | H10 | 13.2° | 11.6° |
| C11 | C12 | C13 | H11 | 103.1° | 120.0° |
| C11 | C12 | C13 | H12 | 136.3° | 120.0° |
| C2 | N2 | C1 | H4 | 180.0° | 179.9° |
| C2 | N2 | C1 | N1 | 0.7° | 0.0° |
| C2 | N2 | C1 | O1 | 179.4° | 180.0° |
| C11 | C5 | N1 | C1 | 179.3° | 179.9° |
| C11 | C5 | N1 | C6 | 0.2° | 0.3° |
| C5 | N1 | C1 | N2 | 0.1° | 0.4° |
| C5 | N1 | C1 | C6 | 179.6° | 179.7° |
| C5 | N1 | C1 | O1 | 179.8° | 179.7° |
| C5 | N1 | C6 | H1 | 180.0° | 173.6° |
| C5 | N1 | C6 | H2 | 60.0° | 53.6° |
| C5 | N1 | C6 | H3 | 60.0° | 66.5° |
| N1 | C5 | C11 | H8 | 104.2° | 69.4° |
| N2 | C1 | N1 | O1 | 179.9° | 179.9° |
| N2 | C1 | N1 | C6 | 179.5° | 180.0° |
| C1 | N1 | C6 | H1 | 0.5° | 6.8° |
| C1 | N1 | C6 | H2 | 119.5° | 126.8° |
| C1 | N1 | C6 | H3 | 120.5° | 113.2° |
| N1 | C1 | N2 | H4 | 179.3° | 180.0° |
| C6 | N1 | C1 | O1 | 0.6° | 0.0° |
| N1 | C6 | H1 | H2 | 120.0° | 120.0° |
| N1 | C6 | H1 | H3 | 120.0° | 120.0° |
| N1 | C6 | H2 | H3 | 120.0° | 120.1° |
| O1 | C1 | N2 | H4 | 0.6° | 0.1° |
| H1 | C6 | H2 | H3 | 120.0° | 120.0° |
| H5 | C4 | H6 | H7 | 120.0° | 120.0° |
| H11 | C13 | O3 | H13 | 60.3° | 60.0° |
| H12 | C13 | O3 | H13 | 60.3° | 60.1° |
