FA3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | H2C1 | sing | 1.09Å | 1.11Å | |
| C2 | H2C2 | sing | 1.09Å | 1.12Å | |
| F1 | C5 | sing | 1.35Å | 1.34Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O3 | HB | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | C5 | sing | 1.50Å | 1.41Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| O4 | HA | sing | 0.97Å | 0.95Å | |
| C5 | C6 | doub | 1.30Å | 1.38Å | |
| C6 | C1 | sing | 1.50Å | 1.39Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C | O1 | sing | 1.34Å | 1.33Å | |
| C | O2 | doub | 1.21Å | 1.29Å | |
| C | C1 | sing | 1.51Å | 1.47Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O30 | C1 | sing | 1.43Å | 1.41Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 108.8° | 108.5° |
| C3 | C2 | H2C1 | 112.5° | 109.6° |
| C3 | C2 | H2C2 | 112.4° | 109.7° |
| C2 | C3 | O3 | 107.7° | 109.7° |
| C2 | C3 | C4 | 107.2° | 108.6° |
| C2 | C3 | H3 | 110.5° | 109.6° |
| C1 | C2 | H2C1 | 112.4° | 109.6° |
| C1 | C2 | H2C2 | 112.5° | 109.6° |
| C2 | C1 | C6 | 111.4° | 110.2° |
| C2 | C1 | C | 109.6° | 109.4° |
| C2 | C1 | O30 | 108.6° | 109.4° |
| H2C1 | C2 | H2C2 | 98.0° | 109.8° |
| F1 | C5 | C4 | 116.9° | 117.9° |
| F1 | C5 | C6 | 118.0° | 118.0° |
| O3 | C3 | C4 | 110.2° | 109.6° |
| O3 | C3 | H3 | 110.6° | 109.6° |
| C3 | O3 | HB | 110.2° | 106.8° |
| C4 | C3 | H3 | 110.6° | 109.6° |
| C3 | C4 | O4 | 110.0° | 109.6° |
| C3 | C4 | C5 | 111.8° | 110.1° |
| C3 | C4 | H4 | 108.0° | 109.1° |
| O4 | C4 | C5 | 110.8° | 109.4° |
| O4 | C4 | H4 | 108.0° | 109.3° |
| C4 | O4 | HA | 110.8° | 106.8° |
| C5 | C4 | H4 | 108.0° | 109.4° |
| C4 | C5 | C6 | 125.1° | 124.1° |
| C5 | C6 | C1 | 120.8° | 124.0° |
| C5 | C6 | H6 | 119.6° | 118.0° |
| C1 | C6 | H6 | 119.6° | 118.0° |
| C6 | C1 | C | 108.7° | 109.3° |
| C6 | C1 | O30 | 113.9° | 109.3° |
| O1 | C | O2 | 118.4° | 119.9° |
| O1 | C | C1 | 123.1° | 120.0° |
| C | O1 | H1 | 118.3° | 120.1° |
| O2 | C | C1 | 118.4° | 120.1° |
| C | C1 | O30 | 104.4° | 109.3° |
| C1 | O30 | H30 | 113.9° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2C1 | 125.3° | 119.7° |
| C3 | C2 | C1 | H2C2 | 125.3° | 119.7° |
| C3 | C2 | H2C1 | H2C2 | 118.4° | 120.5° |
| C2 | C3 | O3 | C4 | 116.6° | 119.2° |
| C2 | C3 | O3 | H3 | 120.9° | 120.4° |
| C2 | C3 | C4 | H3 | 120.5° | 119.8° |
| C2 | C3 | O3 | HB | 63.4° | 179.6° |
| C2 | C3 | C4 | O4 | 169.4° | 169.5° |
| C2 | C3 | C4 | C5 | 45.7° | 49.2° |
| C2 | C3 | C4 | H4 | 72.9° | 70.8° |
| C3 | C2 | C1 | C6 | 54.1° | 49.4° |
| C3 | C2 | C1 | C | 174.3° | 169.6° |
| C3 | C2 | C1 | O30 | 72.1° | 70.7° |
| C1 | C2 | H2C1 | H2C2 | 118.4° | 120.5° |
| C1 | C2 | C3 | O3 | 174.7° | 172.8° |
| C1 | C2 | C3 | C4 | 66.8° | 67.4° |
| C1 | C2 | C3 | H3 | 53.8° | 52.4° |
| C2 | C1 | C6 | C5 | 20.5° | 17.1° |
| C2 | C1 | C6 | C | 120.8° | 120.2° |
| C2 | C1 | C6 | O30 | 123.2° | 120.2° |
| C2 | C1 | C6 | H6 | 159.5° | 162.9° |
| C2 | C1 | C | O1 | 9.6° | 60.1° |
| C2 | C1 | C | O2 | 167.2° | 120.0° |
| C2 | C1 | C | O30 | 116.2° | 119.7° |
| C2 | C1 | O30 | H30 | 55.3° | 179.9° |
| H2C1 | C2 | C3 | O3 | 49.4° | 67.6° |
| H2C1 | C2 | C3 | C4 | 167.9° | 52.3° |
| H2C1 | C2 | C3 | H3 | 71.5° | 172.1° |
| H2C1 | C2 | C1 | C6 | 179.3° | 70.2° |
| H2C1 | C2 | C1 | C | 60.4° | 49.9° |
| H2C1 | C2 | C1 | O30 | 53.1° | 169.6° |
| H2C2 | C2 | C3 | O3 | 60.1° | 53.1° |
| H2C2 | C2 | C3 | C4 | 58.5° | 172.9° |
| H2C2 | C2 | C3 | H3 | 179.0° | 67.3° |
| H2C2 | C2 | C1 | C6 | 71.2° | 169.2° |
| H2C2 | C2 | C1 | C | 49.1° | 70.7° |
| H2C2 | C2 | C1 | O30 | 162.6° | 49.0° |
| F1 | C5 | C4 | C3 | 167.3° | 163.1° |
| F1 | C5 | C4 | O4 | 44.1° | 42.6° |
| F1 | C5 | C4 | C6 | 179.1° | 179.9° |
| F1 | C5 | C4 | H4 | 74.1° | 77.1° |
| F1 | C5 | C6 | C1 | 179.3° | 179.6° |
| F1 | C5 | C6 | H6 | 0.7° | 0.4° |
| O3 | C3 | C4 | H3 | 122.5° | 120.4° |
| O3 | C3 | C4 | O4 | 73.7° | 70.6° |
| O3 | C3 | C4 | C5 | 162.6° | 169.0° |
| O3 | C3 | C4 | H4 | 44.0° | 49.0° |
| C4 | C3 | O3 | HB | 180.0° | 60.4° |
| C3 | C4 | O4 | C5 | 124.2° | 120.8° |
| C3 | C4 | O4 | H4 | 117.6° | 119.5° |
| C3 | C4 | C5 | H4 | 118.6° | 119.8° |
| C3 | C4 | O4 | HA | 55.8° | 179.3° |
| C3 | C4 | C5 | C6 | 13.7° | 16.8° |
| H3 | C3 | O3 | HB | 57.5° | 60.0° |
| H3 | C3 | C4 | O4 | 48.8° | 49.7° |
| H3 | C3 | C4 | C5 | 74.8° | 70.6° |
| H3 | C3 | C4 | H4 | 166.5° | 169.4° |
| O4 | C4 | C5 | H4 | 118.1° | 119.7° |
| O4 | C4 | C5 | C6 | 136.9° | 137.3° |
| C5 | C4 | O4 | HA | 180.0° | 59.9° |
| C4 | C5 | C6 | C1 | 0.3° | 0.3° |
| C4 | C5 | C6 | H6 | 179.7° | 179.7° |
| H4 | C4 | O4 | HA | 61.8° | 59.8° |
| H4 | C4 | C5 | C6 | 105.0° | 103.1° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C | 141.4° | 137.4° |
| C5 | C6 | C1 | O30 | 102.7° | 103.1° |
| C6 | C1 | C | O1 | 112.3° | 60.6° |
| C6 | C1 | C | O2 | 70.8° | 119.3° |
| C6 | C1 | C | O30 | 121.9° | 119.6° |
| C6 | C1 | O30 | H30 | 180.0° | 59.4° |
| H6 | C6 | C1 | C | 38.6° | 42.6° |
| H6 | C6 | C1 | O30 | 77.3° | 76.9° |
| O1 | C | O2 | C1 | 177.0° | 179.9° |
| O1 | C | C1 | O30 | 125.8° | 179.8° |
| O2 | C | O1 | H1 | 180.0° | 0.1° |
| O2 | C | C1 | O30 | 51.1° | 0.3° |
| C1 | C | O1 | H1 | 3.1° | 180.0° |
| C | C1 | O30 | H30 | 61.6° | 60.2° |
