ATH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.48Å | 1.46Å | |
| C1 | O1 | doub | 1.28Å | 1.26Å | |
| C1 | O2 | sing | 1.28Å | 1.27Å | |
| C2 | C3 | doub | 1.34Å | 1.33Å | |
| C2 | H2 | sing | 1.08Å | 1.03Å | |
| C3 | C4 | sing | 1.51Å | 1.56Å | |
| C3 | C6 | sing | 1.48Å | 1.53Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | OH | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.04Å | |
| C5 | O3 | doub | 1.28Å | 1.25Å | |
| C5 | O4 | sing | 1.27Å | 1.25Å | |
| C6 | O5 | doub | 1.22Å | 1.24Å | |
| C6 | O6 | sing | 1.22Å | 1.25Å | |
| OH | HH | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 114.6° | 120.0° |
| C2 | C1 | O2 | 124.2° | 120.0° |
| C1 | C2 | C3 | 125.0° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | O2 | 120.7° | 120.0° |
| C3 | C2 | H2 | 115.0° | 120.0° |
| C2 | C3 | C4 | 126.1° | 120.0° |
| C2 | C3 | C6 | 117.3° | 120.0° |
| C4 | C3 | C6 | 116.6° | 120.0° |
| C3 | C4 | C5 | 110.9° | 109.5° |
| C3 | C4 | OH | 109.8° | 109.5° |
| C3 | C4 | H4 | 107.8° | 109.5° |
| C3 | C6 | O5 | 121.5° | 120.0° |
| C3 | C6 | O6 | 119.1° | 120.0° |
| C5 | C4 | OH | 116.8° | 109.5° |
| C5 | C4 | H4 | 107.7° | 109.4° |
| C4 | C5 | O3 | 120.2° | 120.0° |
| C4 | C5 | O4 | 117.6° | 120.0° |
| OH | C4 | H4 | 103.2° | 109.5° |
| C4 | OH | HH | 109.8° | 106.8° |
| O3 | C5 | O4 | 122.2° | 120.0° |
| O5 | C6 | O6 | 119.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 172.1° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.8° | 13.6° |
| C1 | C2 | C3 | C6 | 175.6° | 166.4° |
| O1 | C1 | C2 | C3 | 81.5° | 6.9° |
| O1 | C1 | C2 | H2 | 98.5° | 173.2° |
| O2 | C1 | C2 | C3 | 90.3° | 173.2° |
| O2 | C1 | C2 | H2 | 89.7° | 6.8° |
| C2 | C3 | C4 | C6 | 177.4° | 179.9° |
| C2 | C3 | C4 | C5 | 118.7° | 102.0° |
| C2 | C3 | C4 | OH | 110.8° | 138.0° |
| C2 | C3 | C4 | H4 | 0.9° | 18.0° |
| C2 | C3 | C6 | O5 | 164.6° | 5.8° |
| C2 | C3 | C6 | O6 | 18.4° | 174.1° |
| H2 | C2 | C3 | C4 | 178.2° | 166.3° |
| H2 | C2 | C3 | C6 | 4.4° | 13.7° |
| C3 | C4 | C5 | OH | 126.8° | 120.0° |
| C3 | C4 | C5 | H4 | 117.8° | 120.0° |
| C3 | C4 | OH | H4 | 114.7° | 120.0° |
| C3 | C4 | C5 | O3 | 52.3° | 115.0° |
| C3 | C4 | C5 | O4 | 128.2° | 65.0° |
| C4 | C3 | C6 | O5 | 13.0° | 174.2° |
| C4 | C3 | C6 | O6 | 163.9° | 5.8° |
| C3 | C4 | OH | HH | 180.0° | 64.5° |
| C6 | C3 | C4 | C5 | 58.7° | 77.9° |
| C6 | C3 | C4 | OH | 71.9° | 42.1° |
| C6 | C3 | C4 | H4 | 176.4° | 162.1° |
| C3 | C6 | O5 | O6 | 176.9° | 180.0° |
| C5 | C4 | OH | H4 | 118.0° | 119.9° |
| C4 | C5 | O3 | O4 | 179.5° | 180.0° |
| C5 | C4 | OH | HH | 52.6° | 55.5° |
| OH | C4 | C5 | O3 | 179.1° | 5.0° |
| OH | C4 | C5 | O4 | 1.4° | 175.0° |
| H4 | C4 | C5 | O3 | 65.5° | 125.0° |
| H4 | C4 | C5 | O4 | 114.1° | 55.0° |
| H4 | C4 | OH | HH | 65.4° | 175.4° |
