4LE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F01 | C01 | sing | 1.40Å | 1.33Å | |
| F03 | C01 | sing | 1.40Å | 1.33Å | |
| F04 | C03 | sing | 1.40Å | 1.34Å | |
| F02 | C01 | sing | 1.40Å | 1.33Å | |
| C01 | C02 | sing | 1.53Å | 1.48Å | |
| C03 | F05 | sing | 1.40Å | 1.33Å | |
| C03 | O01 | sing | 1.43Å | 1.40Å | |
| O01 | C02 | sing | 1.43Å | 1.39Å | |
| C02 | CL1 | sing | 1.80Å | 1.73Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C01 | F03 | 108.1° | 109.5° |
| F01 | C01 | F02 | 111.0° | 109.5° |
| F01 | C01 | C02 | 106.8° | 109.4° |
| F03 | C01 | F02 | 113.2° | 109.5° |
| F03 | C01 | C02 | 107.9° | 109.5° |
| F04 | C03 | F05 | 109.4° | 109.5° |
| F04 | C03 | O01 | 109.0° | 109.5° |
| F04 | C03 | H2 | 110.0° | 109.4° |
| F02 | C01 | C02 | 109.6° | 109.5° |
| C01 | C02 | O01 | 104.9° | 109.5° |
| C01 | C02 | CL1 | 103.9° | 109.5° |
| C01 | C02 | H1 | 113.7° | 109.5° |
| F05 | C03 | O01 | 109.3° | 109.5° |
| F05 | C03 | H2 | 110.0° | 109.5° |
| C03 | O01 | C02 | 110.8° | 114.0° |
| O01 | C03 | H2 | 109.0° | 109.4° |
| O01 | C02 | CL1 | 107.9° | 109.5° |
| O01 | C02 | H1 | 115.4° | 109.4° |
| CL1 | C02 | H1 | 110.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C01 | F03 | F02 | 123.4° | 120.0° |
| F01 | C01 | F03 | C02 | 115.1° | 120.0° |
| F01 | C01 | F02 | C02 | 117.7° | 120.0° |
| F01 | C01 | C02 | O01 | 89.6° | 60.0° |
| F01 | C01 | C02 | CL1 | 23.6° | 60.0° |
| F01 | C01 | C02 | H1 | 143.4° | 180.0° |
| F03 | C01 | F02 | C02 | 120.5° | 120.0° |
| F03 | C01 | C02 | O01 | 26.4° | 60.0° |
| F03 | C01 | C02 | CL1 | 139.6° | 180.0° |
| F03 | C01 | C02 | H1 | 100.6° | 59.9° |
| F04 | C03 | F05 | O01 | 119.3° | 120.0° |
| F04 | C03 | F05 | H2 | 120.9° | 120.0° |
| F04 | C03 | O01 | H2 | 120.1° | 119.9° |
| F04 | C03 | O01 | C02 | 63.8° | 60.1° |
| F02 | C01 | C02 | O01 | 150.1° | 180.0° |
| F02 | C01 | C02 | CL1 | 96.7° | 60.0° |
| F02 | C01 | C02 | H1 | 23.1° | 60.1° |
| C01 | C02 | O01 | C03 | 93.7° | 180.0° |
| C01 | C02 | O01 | CL1 | 110.3° | 120.0° |
| C01 | C02 | O01 | H1 | 125.9° | 120.0° |
| C01 | C02 | CL1 | H1 | 122.2° | 120.1° |
| F05 | C03 | O01 | H2 | 120.3° | 120.0° |
| F05 | C03 | O01 | C02 | 176.6° | 60.0° |
| C03 | O01 | C02 | CL1 | 16.6° | 60.0° |
| C03 | O01 | C02 | H1 | 140.4° | 60.0° |
| O01 | C02 | CL1 | H1 | 126.9° | 119.9° |
| C02 | O01 | C03 | H2 | 56.2° | 180.0° |
