FC3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OA | CA | sing | 1.35Å | 1.35Å | Aromatic |
| OA | CD | sing | 1.34Å | 1.35Å | Aromatic |
| CA | C | sing | 1.46Å | 1.46Å | |
| CA | CB | doub | 1.38Å | 1.38Å | Aromatic |
| C | OB | sing | 1.35Å | 1.25Å | |
| C | OXT | doub | 1.22Å | 1.24Å | |
| OB | HOB | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.40Å | 1.42Å | Aromatic |
| CB | HB | sing | 1.08Å | 1.08Å | |
| CG | CD | doub | 1.37Å | 1.38Å | Aromatic |
| CG | HG | sing | 1.08Å | 1.08Å | |
| CD | C1 | sing | 1.48Å | 1.49Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.46Å | Aromatic |
| C1 | C6 | doub | 1.40Å | 1.44Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | CL1 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| CL1 | F1 | sing | 1.40Å | 1.32Å | |
| CL1 | F2 | sing | 1.40Å | 1.32Å | |
| CL1 | F3 | sing | 1.40Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | OA | CD | 110.0° | 109.4° |
| OA | CA | C | 123.3° | 126.0° |
| OA | CA | CB | 108.6° | 108.0° |
| OA | CD | CG | 108.0° | 108.7° |
| OA | CD | C1 | 122.9° | 125.7° |
| C | CA | CB | 128.1° | 126.0° |
| CA | C | OB | 118.4° | 120.0° |
| CA | C | OXT | 120.9° | 120.0° |
| CA | CB | CG | 106.7° | 106.8° |
| CA | CB | HB | 126.7° | 126.6° |
| OB | C | OXT | 120.6° | 120.1° |
| C | OB | HOB | 109.5° | 106.7° |
| CG | CB | HB | 126.6° | 126.6° |
| CB | CG | CD | 106.7° | 107.1° |
| CB | CG | HG | 126.6° | 126.5° |
| CD | CG | HG | 126.7° | 126.4° |
| CG | CD | C1 | 129.1° | 125.7° |
| CD | C1 | C2 | 124.7° | 120.1° |
| CD | C1 | C6 | 118.4° | 120.2° |
| C2 | C1 | C6 | 116.9° | 119.7° |
| C1 | C2 | C3 | 120.3° | 119.8° |
| C1 | C2 | CL1 | 121.9° | 120.1° |
| C1 | C6 | C5 | 122.0° | 119.9° |
| C1 | C6 | H6 | 119.0° | 120.1° |
| C3 | C2 | CL1 | 117.8° | 120.1° |
| C2 | C3 | C4 | 120.9° | 120.2° |
| C2 | C3 | H3 | 119.5° | 119.9° |
| C2 | CL1 | F1 | 109.8° | 109.5° |
| C2 | CL1 | F2 | 109.4° | 109.5° |
| C2 | CL1 | F3 | 109.0° | 109.5° |
| C4 | C3 | H3 | 119.5° | 119.9° |
| C3 | C4 | C5 | 120.1° | 120.3° |
| C3 | C4 | H4 | 120.0° | 119.8° |
| C5 | C4 | H4 | 120.0° | 119.9° |
| C4 | C5 | C6 | 119.8° | 120.2° |
| C4 | C5 | H5 | 120.1° | 119.9° |
| C6 | C5 | H5 | 120.1° | 120.0° |
| C5 | C6 | H6 | 119.0° | 120.1° |
| F1 | CL1 | F2 | 109.2° | 109.5° |
| F1 | CL1 | F3 | 109.4° | 109.5° |
| F2 | CL1 | F3 | 110.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA | CA | C | CB | 180.0° | 179.6° |
| OA | CA | C | OB | 0.3° | 0.1° |
| OA | CA | C | OXT | 179.8° | 180.0° |
| OA | CA | CB | CG | 0.2° | 0.4° |
| OA | CA | CB | HB | 179.8° | 179.9° |
| CA | OA | CD | CG | 0.0° | 0.0° |
| CA | OA | CD | C1 | 179.6° | 179.9° |
| CD | OA | CA | C | 179.9° | 180.0° |
| CD | OA | CA | CB | 0.1° | 0.3° |
| OA | CD | CG | CB | 0.2° | 0.3° |
| OA | CD | CG | C1 | 179.6° | 179.9° |
| OA | CD | CG | HG | 179.9° | 180.0° |
| OA | CD | C1 | C2 | 127.6° | 50.2° |
| OA | CD | C1 | C6 | 52.2° | 130.0° |
| CA | C | OB | OXT | 179.9° | 179.9° |
| CA | C | OB | HOB | 179.8° | 180.0° |
| C | CA | CB | CG | 179.8° | 179.9° |
| C | CA | CB | HB | 0.2° | 0.2° |
| CB | CA | C | OB | 179.7° | 179.8° |
| CB | CA | C | OXT | 0.2° | 0.3° |
| CA | CB | CG | HB | 180.0° | 179.6° |
| CA | CB | CG | CD | 0.2° | 0.4° |
| CA | CB | CG | HG | 179.8° | 179.9° |
| OXT | C | OB | HOB | 0.0° | 0.1° |
| CB | CG | CD | HG | 180.0° | 179.7° |
| CB | CG | CD | C1 | 179.7° | 179.8° |
| HB | CB | CG | CD | 179.8° | 179.9° |
| HB | CB | CG | HG | 0.2° | 0.2° |
| CG | CD | C1 | C2 | 52.9° | 129.7° |
| CG | CD | C1 | C6 | 127.3° | 50.1° |
| HG | CG | CD | C1 | 0.3° | 0.1° |
| CD | C1 | C2 | C6 | 179.8° | 179.8° |
| CD | C1 | C2 | C3 | 179.8° | 179.7° |
| CD | C1 | C2 | CL1 | 0.0° | 0.2° |
| CD | C1 | C6 | C5 | 179.8° | 180.0° |
| CD | C1 | C6 | H6 | 0.1° | 0.0° |
| C1 | C2 | C3 | CL1 | 179.9° | 179.4° |
| C1 | C2 | C3 | C4 | 0.0° | 0.6° |
| C1 | C2 | C3 | H3 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.0° | 0.2° |
| C2 | C1 | C6 | H6 | 179.9° | 179.8° |
| C1 | C2 | CL1 | F1 | 46.2° | 179.4° |
| C1 | C2 | CL1 | F2 | 166.0° | 60.6° |
| C1 | C2 | CL1 | F3 | 73.6° | 59.4° |
| C6 | C1 | C2 | C3 | 0.0° | 0.6° |
| C6 | C1 | C2 | CL1 | 179.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.0° | 0.3° |
| C2 | C3 | C4 | H4 | 180.0° | 179.7° |
| C3 | C2 | CL1 | F1 | 133.7° | 0.0° |
| C3 | C2 | CL1 | F2 | 13.8° | 120.0° |
| C3 | C2 | CL1 | F3 | 106.6° | 120.0° |
| CL1 | C2 | C3 | C4 | 179.8° | 180.0° |
| CL1 | C2 | C3 | H3 | 0.1° | 0.3° |
| C2 | CL1 | F1 | F2 | 120.0° | 120.0° |
| C2 | CL1 | F1 | F3 | 119.5° | 120.0° |
| C2 | CL1 | F2 | F3 | 119.7° | 120.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| H3 | C3 | C4 | C5 | 180.0° | 180.0° |
| H3 | C3 | C4 | H4 | 0.0° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| H4 | C4 | C5 | C6 | 180.0° | 179.9° |
| H4 | C4 | C5 | H5 | 0.0° | 0.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| F1 | CL1 | F2 | F3 | 120.0° | 120.0° |
