FSA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | OAB | sing | 1.34Å | 1.26Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| OAA | CAL | doub | 1.21Å | 1.26Å | |
| CAL | CAH | sing | 1.51Å | 1.51Å | |
| CAH | SAK | sing | 1.81Å | 1.77Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| SAK | C1 | sing | 1.81Å | 1.77Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | O6 | sing | 1.43Å | 1.43Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O6 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | OAB | HOAB | 109.5° | 117.0° |
| OAB | CAL | OAA | 122.7° | 120.0° |
| OAB | CAL | CAH | 119.8° | 120.0° |
| OAA | CAL | CAH | 117.6° | 120.0° |
| CAL | CAH | SAK | 111.9° | 109.5° |
| CAL | CAH | HAH | 108.7° | 109.5° |
| CAL | CAH | HAHA | 108.1° | 109.5° |
| SAK | CAH | HAH | 108.7° | 109.5° |
| SAK | CAH | HAHA | 108.2° | 109.5° |
| CAH | SAK | C1 | 95.7° | 103.0° |
| HAH | CAH | HAHA | 111.3° | 109.4° |
| SAK | C1 | C2 | 110.0° | 109.5° |
| SAK | C1 | H11 | 109.3° | 109.5° |
| SAK | C1 | H12 | 109.2° | 109.5° |
| C2 | C1 | H11 | 109.3° | 109.5° |
| C2 | C1 | H12 | 109.2° | 109.5° |
| C1 | C2 | C3 | 110.6° | 109.4° |
| C1 | C2 | O2 | 108.1° | 109.5° |
| C1 | C2 | O6 | 109.4° | 109.5° |
| H11 | C1 | H12 | 109.9° | 109.4° |
| C3 | C2 | O2 | 109.6° | 109.5° |
| C3 | C2 | O6 | 109.5° | 109.4° |
| C2 | C3 | O3 | 109.9° | 109.5° |
| C2 | C3 | C4 | 112.5° | 109.1° |
| C2 | C3 | H3 | 106.8° | 109.5° |
| O2 | C2 | O6 | 109.7° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | O6 | C6 | 114.9° | 114.1° |
| O3 | C3 | C4 | 108.7° | 109.5° |
| O3 | C3 | H3 | 110.8° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 108.0° | 109.5° |
| C3 | C4 | O4 | 109.8° | 109.5° |
| C3 | C4 | C5 | 111.0° | 109.1° |
| C3 | C4 | H4 | 108.1° | 109.6° |
| O4 | C4 | C5 | 109.1° | 109.6° |
| O4 | C4 | H4 | 110.0° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | H4 | 108.8° | 109.5° |
| C4 | C5 | O5 | 109.9° | 109.5° |
| C4 | C5 | C6 | 110.3° | 109.2° |
| C4 | C5 | H5 | 108.6° | 109.5° |
| O5 | C5 | C6 | 109.2° | 109.5° |
| O5 | C5 | H5 | 109.6° | 109.6° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| C6 | C5 | H5 | 109.2° | 109.5° |
| C5 | C6 | O6 | 111.4° | 109.4° |
| C5 | C6 | H61 | 108.8° | 109.6° |
| C5 | C6 | H62 | 108.4° | 109.4° |
| O6 | C6 | H61 | 108.8° | 109.5° |
| O6 | C6 | H62 | 108.4° | 109.4° |
| H61 | C6 | H62 | 111.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAL | OAA | CAH | 179.4° | 179.9° |
| OAB | CAL | CAH | SAK | 1.5° | 180.0° |
| OAB | CAL | CAH | HAH | 121.5° | 60.0° |
| OAB | CAL | CAH | HAHA | 117.5° | 60.0° |
| HOAB | OAB | CAL | OAA | 0.0° | 0.1° |
| HOAB | OAB | CAL | CAH | 179.3° | 180.0° |
| OAA | CAL | CAH | SAK | 177.9° | 0.1° |
| OAA | CAL | CAH | HAH | 57.8° | 120.0° |
| OAA | CAL | CAH | HAHA | 63.1° | 119.9° |
| CAL | CAH | SAK | HAH | 120.0° | 120.0° |
| CAL | CAH | SAK | HAHA | 119.0° | 120.0° |
| CAL | CAH | HAH | HAHA | 119.0° | 120.0° |
| CAL | CAH | SAK | C1 | 178.8° | 180.0° |
| SAK | CAH | HAH | HAHA | 119.0° | 120.0° |
| CAH | SAK | C1 | C2 | 155.1° | 180.0° |
| CAH | SAK | C1 | H11 | 35.1° | 60.0° |
| CAH | SAK | C1 | H12 | 85.1° | 60.0° |
| HAH | CAH | SAK | C1 | 58.7° | 60.0° |
| HAHA | CAH | SAK | C1 | 62.3° | 60.0° |
| SAK | C1 | C2 | H11 | 120.0° | 120.0° |
| SAK | C1 | C2 | H12 | 119.8° | 120.0° |
| SAK | C1 | H11 | H12 | 119.8° | 120.0° |
| SAK | C1 | C2 | C3 | 77.1° | 180.0° |
| SAK | C1 | C2 | O2 | 162.9° | 60.0° |
| SAK | C1 | C2 | O6 | 43.6° | 60.0° |
| C2 | C1 | H11 | H12 | 119.8° | 120.0° |
| C1 | C2 | C3 | O2 | 119.1° | 120.0° |
| C1 | C2 | C3 | O6 | 120.6° | 120.0° |
| C1 | C2 | O2 | O6 | 119.2° | 120.1° |
| C1 | C2 | O2 | HO2 | 147.7° | 60.1° |
| C1 | C2 | C3 | O3 | 65.1° | 62.5° |
| C1 | C2 | C3 | C4 | 173.6° | 177.6° |
| C1 | C2 | C3 | H3 | 55.2° | 57.7° |
| C1 | C2 | O6 | C6 | 179.0° | 178.9° |
| H11 | C1 | C2 | C3 | 42.9° | 60.0° |
| H11 | C1 | C2 | O2 | 77.1° | 180.0° |
| H11 | C1 | C2 | O6 | 163.6° | 60.0° |
| H12 | C1 | C2 | C3 | 163.1° | 60.0° |
| H12 | C1 | C2 | O2 | 43.1° | 60.0° |
| H12 | C1 | C2 | O6 | 76.2° | 179.9° |
| C3 | C2 | O2 | O6 | 120.2° | 120.0° |
| C3 | C2 | O2 | HO2 | 91.7° | 180.0° |
| C2 | C3 | O3 | C4 | 123.6° | 119.6° |
| C2 | C3 | O3 | H3 | 117.8° | 120.2° |
| C2 | C3 | C4 | H3 | 117.7° | 119.9° |
| C2 | C3 | O3 | HO3 | 121.8° | 179.9° |
| C2 | C3 | C4 | O4 | 172.0° | 176.8° |
| C2 | C3 | C4 | C5 | 51.4° | 56.9° |
| C2 | C3 | C4 | H4 | 67.9° | 62.9° |
| C3 | C2 | O6 | C6 | 57.6° | 61.2° |
| O2 | C2 | C3 | O3 | 54.0° | 57.5° |
| O2 | C2 | C3 | C4 | 67.4° | 62.4° |
| O2 | C2 | C3 | H3 | 174.2° | 177.7° |
| O2 | C2 | O6 | C6 | 62.6° | 58.8° |
| O6 | C2 | O2 | HO2 | 28.5° | 60.0° |
| O6 | C2 | C3 | O3 | 174.3° | 177.5° |
| O6 | C2 | C3 | C4 | 52.9° | 57.6° |
| O6 | C2 | C3 | H3 | 65.5° | 62.3° |
| C2 | O6 | C6 | C5 | 59.3° | 61.1° |
| C2 | O6 | C6 | H61 | 179.3° | 178.8° |
| C2 | O6 | C6 | H62 | 59.8° | 58.8° |
| O3 | C3 | C4 | H3 | 120.3° | 120.2° |
| O3 | C3 | C4 | O4 | 65.9° | 63.3° |
| O3 | C3 | C4 | C5 | 173.4° | 176.8° |
| O3 | C3 | C4 | H4 | 54.1° | 57.0° |
| C4 | C3 | O3 | HO3 | 1.8° | 60.3° |
| C3 | C4 | O4 | C5 | 121.8° | 119.6° |
| C3 | C4 | O4 | H4 | 118.9° | 120.2° |
| C3 | C4 | C5 | H4 | 118.8° | 119.9° |
| C3 | C4 | O4 | HO4 | 27.2° | 180.0° |
| C3 | C4 | C5 | O5 | 69.7° | 62.9° |
| C3 | C4 | C5 | C6 | 50.8° | 57.0° |
| C3 | C4 | C5 | H5 | 170.4° | 176.9° |
| H3 | C3 | O3 | HO3 | 120.4° | 59.9° |
| H3 | C3 | C4 | O4 | 54.3° | 57.0° |
| H3 | C3 | C4 | C5 | 66.3° | 62.9° |
| H3 | C3 | C4 | H4 | 174.4° | 177.2° |
| O4 | C4 | C5 | H4 | 120.1° | 120.3° |
| O4 | C4 | C5 | O5 | 51.4° | 57.0° |
| O4 | C4 | C5 | C6 | 171.8° | 176.8° |
| O4 | C4 | C5 | H5 | 68.5° | 63.2° |
| C5 | C4 | O4 | HO4 | 149.0° | 60.4° |
| C4 | C5 | O5 | C6 | 121.1° | 119.7° |
| C4 | C5 | O5 | H5 | 119.3° | 120.2° |
| C4 | C5 | C6 | H5 | 119.2° | 120.0° |
| C4 | C5 | O5 | HO5 | 31.5° | 180.0° |
| C4 | C5 | C6 | O6 | 54.0° | 57.5° |
| C4 | C5 | C6 | H61 | 174.0° | 177.6° |
| C4 | C5 | C6 | H62 | 65.1° | 62.4° |
| H4 | C4 | O4 | HO4 | 91.7° | 59.8° |
| H4 | C4 | C5 | O5 | 171.5° | 177.2° |
| H4 | C4 | C5 | C6 | 68.1° | 62.9° |
| H4 | C4 | C5 | H5 | 51.5° | 57.0° |
| O5 | C5 | C6 | H5 | 119.9° | 120.2° |
| O5 | C5 | C6 | O6 | 66.8° | 62.3° |
| O5 | C5 | C6 | H61 | 53.2° | 57.7° |
| O5 | C5 | C6 | H62 | 174.0° | 177.7° |
| C6 | C5 | O5 | HO5 | 89.6° | 60.3° |
| C5 | C6 | O6 | H61 | 120.0° | 120.1° |
| C5 | C6 | O6 | H62 | 119.2° | 119.9° |
| C5 | C6 | H61 | H62 | 119.2° | 120.0° |
| H5 | C5 | O5 | HO5 | 150.7° | 59.8° |
| H5 | C5 | C6 | O6 | 173.3° | 177.5° |
| H5 | C5 | C6 | H61 | 66.7° | 62.4° |
| H5 | C5 | C6 | H62 | 54.1° | 57.6° |
| O6 | C6 | H61 | H62 | 119.2° | 120.0° |
