LWF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F01 | C02 | sing | 1.40Å | 1.36Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C37 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | F03 | sing | 1.40Å | 1.37Å | |
| C02 | C04 | sing | 1.53Å | 1.55Å | |
| C35 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.51Å | 1.54Å | |
| C06 | O34 | doub | 1.21Å | 1.19Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C06 | OXT | sing | 1.34Å | 1.46Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C02 | C37 | 107.0° | 109.4° |
| F01 | C02 | F03 | 106.8° | 109.5° |
| F01 | C02 | C04 | 110.1° | 109.5° |
| C37 | C36 | C35 | 112.1° | 109.5° |
| C36 | C37 | C02 | 111.2° | 109.5° |
| C37 | C36 | H29 | 108.8° | 109.5° |
| C37 | C36 | H30 | 108.8° | 109.4° |
| C36 | C37 | H31 | 109.0° | 109.5° |
| C36 | C37 | H32 | 109.0° | 109.4° |
| C36 | C35 | C05 | 113.9° | 109.5° |
| C36 | C35 | H27 | 108.3° | 109.5° |
| C36 | C35 | H28 | 108.3° | 109.5° |
| C35 | C36 | H29 | 108.8° | 109.5° |
| C35 | C36 | H30 | 108.8° | 109.5° |
| C37 | C02 | F03 | 108.9° | 109.5° |
| C37 | C02 | C04 | 114.9° | 109.5° |
| C02 | C37 | H31 | 109.1° | 109.5° |
| C02 | C37 | H32 | 109.1° | 109.5° |
| F03 | C02 | C04 | 108.7° | 109.5° |
| C02 | C04 | C05 | 115.8° | 109.5° |
| C02 | C04 | H7 | 107.9° | 109.5° |
| C02 | C04 | H8 | 107.9° | 109.5° |
| C35 | C05 | C04 | 113.4° | 109.5° |
| C35 | C05 | C06 | 107.9° | 109.5° |
| C35 | C05 | H9 | 108.2° | 109.5° |
| C05 | C35 | H27 | 108.3° | 109.5° |
| C05 | C35 | H28 | 108.3° | 109.4° |
| C04 | C05 | C06 | 110.9° | 109.4° |
| C05 | C04 | H7 | 107.9° | 109.4° |
| C05 | C04 | H8 | 107.9° | 109.5° |
| C04 | C05 | H9 | 108.1° | 109.5° |
| C05 | C06 | O34 | 120.2° | 120.0° |
| C06 | C05 | H9 | 108.2° | 109.4° |
| C05 | C06 | OXT | 119.9° | 120.0° |
| O34 | C06 | OXT | 119.9° | 120.0° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H27 | C35 | H28 | 109.5° | 109.4° |
| H29 | C36 | H30 | 109.5° | 109.4° |
| H31 | C37 | H32 | 109.5° | 109.5° |
| C06 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | C37 | C36 | 73.7° | 60.0° |
| F01 | C02 | C37 | F03 | 115.1° | 120.0° |
| F01 | C02 | C37 | C04 | 122.6° | 120.0° |
| F01 | C02 | F03 | C04 | 118.8° | 120.0° |
| F01 | C02 | C04 | C05 | 79.5° | 60.0° |
| F01 | C02 | C04 | H7 | 159.5° | 180.0° |
| F01 | C02 | C04 | H8 | 41.4° | 60.0° |
| F01 | C02 | C37 | H31 | 166.0° | 60.0° |
| F01 | C02 | C37 | H32 | 46.5° | 180.0° |
| C37 | C36 | C35 | H29 | 120.4° | 120.0° |
| C37 | C36 | C35 | H30 | 120.4° | 120.0° |
| C36 | C37 | C02 | H31 | 120.3° | 120.0° |
| C36 | C37 | C02 | H32 | 120.2° | 119.9° |
| C36 | C37 | C02 | F03 | 171.2° | 180.0° |
| C36 | C37 | C02 | C04 | 48.9° | 60.0° |
| C37 | C36 | C35 | C05 | 54.8° | 60.0° |
| C37 | C36 | C35 | H27 | 175.5° | 60.0° |
| C37 | C36 | C35 | H28 | 65.8° | 180.0° |
| C37 | C36 | H29 | H30 | 118.8° | 119.9° |
| C36 | C37 | H31 | H32 | 119.2° | 120.0° |
| C35 | C36 | C37 | C02 | 55.3° | 60.0° |
| C36 | C35 | C05 | H27 | 120.7° | 120.0° |
| C36 | C35 | C05 | H28 | 120.6° | 120.0° |
| C36 | C35 | C05 | C04 | 45.7° | 60.0° |
| C36 | C35 | C05 | C06 | 169.0° | 180.0° |
| C36 | C35 | C05 | H9 | 74.2° | 60.0° |
| C36 | C35 | H27 | H28 | 118.0° | 120.0° |
| C35 | C36 | H29 | H30 | 118.8° | 120.0° |
| C35 | C36 | C37 | H31 | 64.9° | 180.0° |
| C35 | C36 | C37 | H32 | 175.6° | 60.0° |
| C37 | C02 | F03 | C04 | 125.9° | 120.0° |
| C37 | C02 | C04 | C05 | 41.4° | 60.0° |
| C37 | C02 | C04 | H7 | 79.5° | 60.0° |
| C37 | C02 | C04 | H8 | 162.4° | 180.0° |
| C02 | C37 | C36 | H29 | 65.1° | 179.9° |
| C02 | C37 | C36 | H30 | 175.7° | 60.0° |
| C02 | C37 | H31 | H32 | 119.2° | 120.0° |
| F03 | C02 | C04 | C05 | 163.8° | 180.0° |
| F03 | C02 | C04 | H7 | 42.9° | 60.0° |
| F03 | C02 | C04 | H8 | 75.2° | 60.0° |
| F03 | C02 | C37 | H31 | 50.9° | 60.0° |
| F03 | C02 | C37 | H32 | 68.6° | 60.0° |
| C02 | C04 | C05 | C35 | 38.9° | 60.0° |
| C02 | C04 | C05 | H7 | 120.9° | 120.0° |
| C02 | C04 | C05 | H8 | 120.9° | 120.0° |
| C02 | C04 | C05 | C06 | 160.5° | 180.0° |
| C02 | C04 | H7 | H8 | 117.1° | 120.0° |
| C02 | C04 | C05 | H9 | 81.0° | 60.1° |
| C04 | C02 | C37 | H31 | 71.3° | 180.0° |
| C04 | C02 | C37 | H32 | 169.2° | 60.0° |
| C35 | C05 | C04 | C06 | 121.6° | 120.0° |
| C35 | C05 | C04 | H9 | 120.0° | 120.0° |
| C35 | C05 | C06 | H9 | 116.8° | 120.0° |
| C35 | C05 | C06 | O34 | 93.7° | 120.0° |
| C35 | C05 | C04 | H7 | 82.0° | 60.0° |
| C35 | C05 | C04 | H8 | 159.8° | 180.0° |
| C05 | C35 | H27 | H28 | 118.0° | 120.0° |
| C05 | C35 | C36 | H29 | 65.6° | 180.0° |
| C05 | C35 | C36 | H30 | 175.2° | 60.0° |
| C35 | C05 | C06 | OXT | 86.9° | 60.0° |
| C04 | C05 | C06 | H9 | 118.4° | 120.0° |
| C04 | C05 | C06 | O34 | 31.1° | 0.0° |
| C05 | C04 | H7 | H8 | 117.1° | 120.0° |
| C04 | C05 | C35 | H27 | 166.4° | 60.0° |
| C04 | C05 | C35 | H28 | 74.9° | 180.0° |
| C04 | C05 | C06 | OXT | 148.3° | 180.0° |
| C05 | C06 | O34 | OXT | 179.4° | 180.0° |
| C06 | C05 | C04 | H7 | 39.6° | 60.0° |
| C06 | C05 | C04 | H8 | 78.6° | 60.0° |
| C06 | C05 | C35 | H27 | 70.4° | 60.0° |
| C06 | C05 | C35 | H28 | 48.3° | 60.0° |
| C05 | C06 | OXT | HXT | 179.4° | 179.9° |
| O34 | C06 | C05 | H9 | 149.5° | 120.0° |
| O34 | C06 | OXT | HXT | 0.0° | 0.1° |
| H7 | C04 | C05 | H9 | 158.0° | 180.0° |
| H8 | C04 | C05 | H9 | 39.9° | 59.9° |
| H9 | C05 | C35 | H27 | 46.4° | 179.9° |
| H9 | C05 | C35 | H28 | 165.1° | 60.0° |
| H9 | C05 | C06 | OXT | 29.9° | 60.0° |
| H27 | C35 | C36 | H29 | 55.1° | 60.0° |
| H27 | C35 | C36 | H30 | 64.1° | NaN° |
| H28 | C35 | C36 | H29 | 173.8° | 60.0° |
| H28 | C35 | C36 | H30 | 54.6° | 60.0° |
| H29 | C36 | C37 | H31 | 174.7° | 59.9° |
| H29 | C36 | C37 | H32 | 55.2° | 60.1° |
| H30 | C36 | C37 | H31 | 55.5° | 60.0° |
| H30 | C36 | C37 | H32 | 64.0° | 180.0° |






