LA6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| PA | O1 | sing | 1.61Å | 1.61Å | |
| C3 | C2 | doub | 1.31Å | 1.31Å | |
| C2 | F2 | sing | 1.35Å | 1.36Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C5 | C3 | sing | 1.51Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | C8 | doub | 1.31Å | 1.32Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| O1A | PA | doub | 1.48Å | 1.47Å | |
| PA | O3A | sing | 1.61Å | 1.61Å | |
| PA | O2A | sing | 1.61Å | 1.59Å | |
| O3A | PB | sing | 1.61Å | 1.62Å | |
| O3B | PB | doub | 1.48Å | 1.61Å | |
| PB | O2B | sing | 1.61Å | 1.61Å | |
| PB | O1B | sing | 1.61Å | 1.46Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 105.2° | 109.5° |
| C2 | C1 | H1 | 110.5° | 109.5° |
| C2 | C1 | H1A | 110.5° | 109.5° |
| C1 | C2 | C3 | 122.8° | 120.0° |
| C1 | C2 | F2 | 116.9° | 120.0° |
| O1 | C1 | H1 | 110.5° | 109.4° |
| O1 | C1 | H1A | 110.5° | 109.5° |
| C1 | O1 | PA | 110.2° | 123.0° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| O1 | PA | O1A | 109.6° | 109.5° |
| O1 | PA | O3A | 108.1° | 109.5° |
| O1 | PA | O2A | 110.9° | 109.5° |
| C3 | C2 | F2 | 120.2° | 120.0° |
| C2 | C3 | C4 | 118.0° | 120.0° |
| C2 | C3 | C5 | 121.6° | 120.0° |
| C4 | C3 | C5 | 120.4° | 120.0° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.4° | 109.4° |
| C3 | C4 | H4B | 109.5° | 109.5° |
| C3 | C5 | C6 | 108.8° | 109.5° |
| C3 | C5 | H5 | 109.6° | 109.5° |
| C3 | C5 | H5A | 109.6° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.4° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| C6 | C5 | H5 | 109.6° | 109.4° |
| C6 | C5 | H5A | 109.6° | 109.4° |
| C5 | C6 | C7 | 108.8° | 109.5° |
| C5 | C6 | H6 | 109.7° | 109.5° |
| C5 | C6 | H6A | 109.6° | 109.4° |
| H5 | C5 | H5A | 109.5° | 109.5° |
| C7 | C6 | H6 | 109.7° | 109.5° |
| C7 | C6 | H6A | 109.6° | 109.5° |
| C6 | C7 | C8 | 125.4° | 120.0° |
| C6 | C7 | H7 | 117.3° | 120.0° |
| H6 | C6 | H6A | 109.5° | 109.4° |
| C8 | C7 | H7 | 117.3° | 120.0° |
| C7 | C8 | C10 | 118.1° | 120.0° |
| C7 | C8 | C9 | 122.6° | 120.0° |
| C10 | C8 | C9 | 119.3° | 120.0° |
| C8 | C10 | H10 | 109.5° | 109.5° |
| C8 | C10 | H10A | 109.5° | 109.4° |
| C8 | C10 | H10B | 109.5° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H9A | 109.4° | 109.4° |
| C8 | C9 | H9B | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9B | 109.4° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.4° |
| O1A | PA | O3A | 106.2° | 109.5° |
| O1A | PA | O2A | 107.1° | 109.4° |
| O3A | PA | O2A | 114.7° | 109.5° |
| PA | O3A | PB | 120.4° | 134.0° |
| PA | O2A | HO2A | 109.5° | 113.9° |
| O3A | PB | O3B | 104.8° | 109.5° |
| O3A | PB | O2B | 107.9° | 109.5° |
| O3A | PB | O1B | 118.7° | 109.5° |
| O3B | PB | O2B | 109.5° | 109.5° |
| O3B | PB | O1B | 107.7° | 109.5° |
| O2B | PB | O1B | 108.0° | 109.5° |
| PB | O2B | HO2B | 109.5° | 114.0° |
| PB | O1B | HO1B | 109.5° | 114.1° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H10 | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | H1 | 119.3° | 120.0° |
| C2 | C1 | O1 | H1A | 119.3° | 120.1° |
| C2 | C1 | H1 | H1A | 121.9° | 120.0° |
| C2 | C1 | O1 | PA | 129.3° | 180.0° |
| C1 | C2 | C3 | F2 | 177.8° | 180.0° |
| C1 | C2 | C3 | C4 | 179.1° | 173.7° |
| C1 | C2 | C3 | C5 | 2.0° | 6.3° |
| O1 | C1 | H1 | H1A | 122.0° | 120.0° |
| O1 | C1 | C2 | C3 | 129.9° | 115.6° |
| O1 | C1 | C2 | F2 | 48.0° | 64.4° |
| C1 | O1 | PA | O1A | 60.7° | 54.9° |
| C1 | O1 | PA | O3A | 54.6° | 174.9° |
| C1 | O1 | PA | O2A | 178.9° | 65.0° |
| H1 | C1 | O1 | PA | 111.3° | 60.0° |
| H1 | C1 | C2 | C3 | 110.7° | 4.4° |
| H1 | C1 | C2 | F2 | 71.4° | 175.6° |
| H1A | C1 | O1 | PA | 10.0° | 59.9° |
| H1A | C1 | C2 | C3 | 10.6° | 124.4° |
| H1A | C1 | C2 | F2 | 167.3° | 55.7° |
| O1 | PA | O1A | O3A | 116.6° | 120.0° |
| O1 | PA | O1A | O2A | 120.5° | 120.0° |
| O1 | PA | O3A | O2A | 124.4° | 120.0° |
| O1 | PA | O3A | PB | 92.8° | 165.0° |
| O1 | PA | O2A | HO2A | 119.6° | 60.0° |
| C2 | C3 | C4 | C5 | 178.9° | 180.0° |
| C2 | C3 | C4 | H4 | 180.0° | 90.0° |
| C2 | C3 | C4 | H4A | 60.0° | 150.0° |
| C2 | C3 | C4 | H4B | 60.0° | 30.0° |
| C2 | C3 | C5 | C6 | 98.5° | 92.7° |
| C2 | C3 | C5 | H5 | 141.7° | 147.3° |
| C2 | C3 | C5 | H5A | 21.4° | 27.3° |
| F2 | C2 | C3 | C4 | 1.2° | 6.3° |
| F2 | C2 | C3 | C5 | 179.9° | 173.7° |
| C3 | C4 | H4 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4B | 120.0° | 120.0° |
| C3 | C4 | H4A | H4B | 120.0° | 120.0° |
| C4 | C3 | C5 | C6 | 80.4° | 87.3° |
| C4 | C3 | C5 | H5 | 39.5° | 32.7° |
| C4 | C3 | C5 | H5A | 159.7° | 152.7° |
| C5 | C3 | C4 | H4 | 1.1° | 90.0° |
| C5 | C3 | C4 | H4A | 118.9° | 30.0° |
| C5 | C3 | C4 | H4B | 121.1° | 150.0° |
| C3 | C5 | C6 | H5 | 119.9° | 120.0° |
| C3 | C5 | C6 | H5A | 119.9° | 120.0° |
| C3 | C5 | H5 | H5A | 120.3° | 120.0° |
| C3 | C5 | C6 | C7 | 64.6° | 180.0° |
| C3 | C5 | C6 | H6 | 175.5° | 59.9° |
| C3 | C5 | C6 | H6A | 55.3° | 60.0° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| C6 | C5 | H5 | H5A | 120.3° | 119.9° |
| C5 | C6 | C7 | H6 | 119.9° | 120.1° |
| C5 | C6 | C7 | H6A | 119.9° | 120.0° |
| C5 | C6 | H6 | H6A | 120.3° | 119.9° |
| C5 | C6 | C7 | C8 | 144.9° | 126.1° |
| C5 | C6 | C7 | H7 | 35.0° | 54.0° |
| H5 | C5 | C6 | C7 | 55.3° | 60.0° |
| H5 | C5 | C6 | H6 | 64.6° | 180.0° |
| H5 | C5 | C6 | H6A | 175.2° | 60.1° |
| H5A | C5 | C6 | C7 | 175.5° | 60.0° |
| H5A | C5 | C6 | H6 | 55.6° | 60.1° |
| H5A | C5 | C6 | H6A | 64.6° | 180.0° |
| C7 | C6 | H6 | H6A | 120.3° | 120.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C10 | 179.7° | 173.7° |
| C6 | C7 | C8 | C9 | 1.1° | 6.2° |
| H6 | C6 | C7 | C8 | 95.1° | 113.9° |
| H6 | C6 | C7 | H7 | 84.9° | 66.1° |
| H6A | C6 | C7 | C8 | 25.1° | 6.1° |
| H6A | C6 | C7 | H7 | 154.9° | 174.0° |
| C7 | C8 | C10 | C9 | 179.3° | 179.9° |
| C7 | C8 | C9 | H9 | 180.0° | 84.4° |
| C7 | C8 | C9 | H9A | 60.0° | 155.5° |
| C7 | C8 | C9 | H9B | 60.0° | 35.6° |
| C7 | C8 | C10 | H10 | 180.0° | 0.0° |
| C7 | C8 | C10 | H10A | 60.0° | 120.1° |
| C7 | C8 | C10 | H10B | 60.0° | 120.0° |
| H7 | C7 | C8 | C10 | 0.3° | 6.3° |
| H7 | C7 | C8 | C9 | 178.9° | 173.8° |
| C10 | C8 | C9 | H9 | 0.8° | 95.5° |
| C10 | C8 | C9 | H9A | 119.2° | 24.5° |
| C10 | C8 | C9 | H9B | 120.8° | 144.5° |
| C8 | C10 | H10 | H10A | 120.0° | 120.0° |
| C8 | C10 | H10 | H10B | 120.0° | 120.0° |
| C8 | C10 | H10A | H10B | 120.0° | 120.0° |
| C8 | C9 | H9 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9B | 120.0° | 120.0° |
| C8 | C9 | H9A | H9B | 120.0° | 119.9° |
| C9 | C8 | C10 | H10 | 0.8° | 180.0° |
| C9 | C8 | C10 | H10A | 120.8° | 60.0° |
| C9 | C8 | C10 | H10B | 119.3° | 59.9° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| O1A | PA | O3A | O2A | 118.1° | 120.0° |
| O1A | PA | O3A | PB | 149.6° | 45.0° |
| O1A | PA | O2A | HO2A | 0.0° | 180.0° |
| PA | O3A | PB | O3B | 117.9° | 40.0° |
| PA | O3A | PB | O2B | 125.5° | 160.1° |
| PA | O3A | PB | O1B | 2.3° | 80.0° |
| O3A | PA | O2A | HO2A | 117.5° | 60.0° |
| O2A | PA | O3A | PB | 31.6° | 74.9° |
| O3A | PB | O3B | O2B | 115.5° | 120.0° |
| O3A | PB | O3B | O1B | 127.2° | 120.0° |
| O3A | PB | O2B | O1B | 129.4° | 120.0° |
| O3A | PB | O1B | HO1B | 118.7° | 60.0° |
| O3A | PB | O2B | HO2B | 113.5° | 180.0° |
| O3B | PB | O2B | O1B | 117.1° | 120.0° |
| O3B | PB | O1B | HO1B | 0.0° | 180.0° |
| O3B | PB | O2B | HO2B | 0.0° | 60.0° |
| O2B | PB | O1B | HO1B | 118.2° | 60.0° |
| O1B | PB | O2B | HO2B | 117.1° | 60.0° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
