FA1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.41Å | |
| C2 | H2C1 | sing | 1.09Å | 1.12Å | |
| C2 | H2C2 | sing | 1.09Å | 1.12Å | |
| C3 | O3 | sing | 1.43Å | 1.38Å | |
| C3 | C4 | sing | 1.53Å | 1.41Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| O3 | HB | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.38Å | |
| C4 | C5 | sing | 1.50Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| O4 | HA | sing | 0.97Å | 0.95Å | |
| C5 | C6 | doub | 1.29Å | 1.44Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C1 | sing | 1.50Å | 1.40Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C | O1 | sing | 1.34Å | 1.32Å | |
| C | O2 | doub | 1.21Å | 1.31Å | |
| C | C1 | sing | 1.51Å | 1.43Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O30 | C1 | sing | 1.43Å | 1.38Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 115.3° | 108.5° |
| C3 | C2 | H2C1 | 110.1° | 109.5° |
| C3 | C2 | H2C2 | 110.0° | 109.6° |
| C2 | C3 | O3 | 112.6° | 109.7° |
| C2 | C3 | C4 | 109.7° | 108.7° |
| C2 | C3 | H3 | 109.1° | 109.6° |
| C1 | C2 | H2C1 | 110.0° | 109.6° |
| C1 | C2 | H2C2 | 110.1° | 109.7° |
| C2 | C1 | C6 | 113.0° | 110.2° |
| C2 | C1 | C | 115.5° | 109.4° |
| C2 | C1 | O30 | 108.2° | 109.3° |
| H2C1 | C2 | H2C2 | 100.2° | 109.8° |
| O3 | C3 | C4 | 107.1° | 109.7° |
| O3 | C3 | H3 | 109.1° | 109.6° |
| C3 | O3 | HB | 112.6° | 106.8° |
| C4 | C3 | H3 | 109.1° | 109.6° |
| C3 | C4 | O4 | 113.6° | 109.7° |
| C3 | C4 | C5 | 113.0° | 110.1° |
| C3 | C4 | H4 | 107.0° | 109.0° |
| O4 | C4 | C5 | 108.9° | 109.4° |
| O4 | C4 | H4 | 107.0° | 109.3° |
| C4 | O4 | HA | 108.9° | 106.8° |
| C5 | C4 | H4 | 107.0° | 109.4° |
| C4 | C5 | C6 | 122.1° | 124.2° |
| C4 | C5 | H5 | 119.0° | 117.9° |
| C6 | C5 | H5 | 119.0° | 117.9° |
| C5 | C6 | C1 | 118.7° | 124.0° |
| C5 | C6 | H6 | 120.7° | 118.0° |
| C1 | C6 | H6 | 120.6° | 117.9° |
| C6 | C1 | C | 108.3° | 109.2° |
| C6 | C1 | O30 | 107.4° | 109.3° |
| O1 | C | O2 | 113.3° | 119.9° |
| O1 | C | C1 | 123.0° | 120.0° |
| C | O1 | H1 | 123.0° | 120.0° |
| O2 | C | C1 | 123.7° | 120.1° |
| C | C1 | O30 | 103.6° | 109.3° |
| C1 | O30 | H30 | 107.4° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2C1 | 125.3° | 119.6° |
| C3 | C2 | C1 | H2C2 | 125.2° | 119.7° |
| C3 | C2 | H2C1 | H2C2 | 115.9° | 120.4° |
| C2 | C3 | O3 | C4 | 120.7° | 119.3° |
| C2 | C3 | O3 | H3 | 121.3° | 120.3° |
| C2 | C3 | C4 | H3 | 119.5° | 119.7° |
| C2 | C3 | O3 | HB | 180.0° | 179.6° |
| C2 | C3 | C4 | O4 | 169.9° | 169.4° |
| C2 | C3 | C4 | C5 | 45.2° | 49.0° |
| C2 | C3 | C4 | H4 | 72.3° | 70.9° |
| C3 | C2 | C1 | C6 | 45.6° | 49.3° |
| C3 | C2 | C1 | C | 171.1° | 169.5° |
| C3 | C2 | C1 | O30 | 73.2° | 70.8° |
| C1 | C2 | H2C1 | H2C2 | 115.9° | 120.6° |
| C1 | C2 | C3 | O3 | 177.3° | 172.9° |
| C1 | C2 | C3 | C4 | 63.5° | 67.2° |
| C1 | C2 | C3 | H3 | 56.0° | 52.5° |
| C2 | C1 | C6 | C5 | 13.0° | 17.1° |
| C2 | C1 | C6 | C | 129.3° | 120.2° |
| C2 | C1 | C6 | O30 | 119.3° | 120.2° |
| C2 | C1 | C6 | H6 | 167.1° | 162.8° |
| C2 | C1 | C | O1 | 0.3° | 59.9° |
| C2 | C1 | C | O2 | 178.4° | 119.9° |
| C2 | C1 | C | O30 | 118.2° | 119.7° |
| C2 | C1 | O30 | H30 | 57.7° | 179.9° |
| H2C1 | C2 | C3 | O3 | 57.5° | 67.5° |
| H2C1 | C2 | C3 | C4 | 61.7° | 52.4° |
| H2C1 | C2 | C3 | H3 | 178.8° | 172.2° |
| H2C1 | C2 | C1 | C6 | 79.7° | 70.2° |
| H2C1 | C2 | C1 | C | 45.9° | 49.9° |
| H2C1 | C2 | C1 | O30 | 161.5° | 169.6° |
| H2C2 | C2 | C3 | O3 | 52.0° | 53.1° |
| H2C2 | C2 | C3 | C4 | 171.2° | 173.0° |
| H2C2 | C2 | C3 | H3 | 69.3° | 67.3° |
| H2C2 | C2 | C1 | C6 | 170.8° | 169.1° |
| H2C2 | C2 | C1 | C | 63.6° | 70.8° |
| H2C2 | C2 | C1 | O30 | 52.0° | 48.9° |
| O3 | C3 | C4 | H3 | 117.9° | 120.4° |
| O3 | C3 | C4 | O4 | 67.5° | 70.7° |
| O3 | C3 | C4 | C5 | 167.7° | 168.9° |
| O3 | C3 | C4 | H4 | 50.2° | 49.0° |
| C4 | C3 | O3 | HB | 59.3° | 60.4° |
| C3 | C4 | O4 | C5 | 126.9° | 120.8° |
| C3 | C4 | O4 | H4 | 117.8° | 119.5° |
| C3 | C4 | C5 | H4 | 117.5° | 119.8° |
| C3 | C4 | O4 | HA | 53.1° | 179.2° |
| C3 | C4 | C5 | C6 | 16.0° | 16.7° |
| C3 | C4 | C5 | H5 | 164.0° | 163.1° |
| H3 | C3 | O3 | HB | 58.7° | 60.0° |
| H3 | C3 | C4 | O4 | 50.4° | 49.7° |
| H3 | C3 | C4 | C5 | 74.3° | 70.7° |
| H3 | C3 | C4 | H4 | 168.2° | 169.3° |
| O4 | C4 | C5 | H4 | 115.3° | 119.7° |
| O4 | C4 | C5 | C6 | 143.2° | 137.3° |
| O4 | C4 | C5 | H5 | 36.8° | 42.6° |
| C5 | C4 | O4 | HA | 180.0° | 60.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 1.3° | 0.3° |
| C4 | C5 | C6 | H6 | 178.7° | 179.7° |
| H4 | C4 | O4 | HA | 64.7° | 59.7° |
| H4 | C4 | C5 | C6 | 101.5° | 103.0° |
| H4 | C4 | C5 | H5 | 78.5° | 77.1° |
| C5 | C6 | C1 | H6 | 180.0° | 179.9° |
| C5 | C6 | C1 | C | 142.3° | 137.4° |
| C5 | C6 | C1 | O30 | 106.4° | 103.0° |
| H5 | C5 | C6 | C1 | 178.7° | 179.6° |
| H5 | C5 | C6 | H6 | 1.3° | 0.4° |
| C6 | C1 | C | O1 | 127.6° | 60.8° |
| C6 | C1 | C | O2 | 53.7° | 119.4° |
| C6 | C1 | C | O30 | 113.9° | 119.6° |
| C6 | C1 | O30 | H30 | 180.0° | 59.4° |
| H6 | C6 | C1 | C | 37.8° | 42.6° |
| H6 | C6 | C1 | O30 | 73.6° | 77.0° |
| O1 | C | O2 | C1 | 178.8° | 179.8° |
| O1 | C | C1 | O30 | 118.5° | 179.6° |
| O2 | C | O1 | H1 | 1.1° | 0.1° |
| O2 | C | C1 | O30 | 60.2° | 0.2° |
| C1 | C | O1 | H1 | 180.0° | 180.0° |
| C | C1 | O30 | H30 | 65.5° | 60.2° |
