POL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C1 | sing | 1.43Å | 1.43Å | |
| O | HO | sing | 0.97Å | 0.84Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 0.99Å | |
| C1 | H12 | sing | 1.09Å | 0.99Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | H21 | sing | 1.09Å | 0.99Å | |
| C2 | H22 | sing | 1.09Å | 0.99Å | |
| C3 | H31 | sing | 1.09Å | 0.98Å | |
| C3 | H32 | sing | 1.09Å | 0.98Å | |
| C3 | H33 | sing | 1.09Å | 0.98Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O | HO | 109.4° | 106.9° |
| O | C1 | C2 | 111.6° | 109.5° |
| O | C1 | H11 | 109.3° | 109.4° |
| O | C1 | H12 | 109.3° | 109.4° |
| C2 | C1 | H11 | 109.3° | 109.5° |
| C2 | C1 | H12 | 109.3° | 109.5° |
| C1 | C2 | C3 | 115.4° | 109.5° |
| C1 | C2 | H21 | 108.4° | 109.5° |
| C1 | C2 | H22 | 108.5° | 109.5° |
| H11 | C1 | H12 | 107.9° | 109.5° |
| C3 | C2 | H21 | 108.4° | 109.5° |
| C3 | C2 | H22 | 108.4° | 109.5° |
| C2 | C3 | H31 | 109.5° | 109.5° |
| C2 | C3 | H32 | 109.4° | 109.5° |
| C2 | C3 | H33 | 109.5° | 109.5° |
| H21 | C2 | H22 | 107.4° | 109.5° |
| H31 | C3 | H32 | 109.4° | 109.5° |
| H31 | C3 | H33 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C1 | C2 | H11 | 121.0° | 120.0° |
| O | C1 | C2 | H12 | 121.1° | 120.0° |
| O | C1 | H11 | H12 | 118.8° | 120.0° |
| O | C1 | C2 | C3 | 70.6° | 180.0° |
| O | C1 | C2 | H21 | 167.6° | 60.0° |
| O | C1 | C2 | H22 | 51.2° | 60.0° |
| HO | O | C1 | C2 | 178.2° | 180.0° |
| HO | O | C1 | H11 | 57.2° | 60.0° |
| HO | O | C1 | H12 | 60.8° | 60.0° |
| C2 | C1 | H11 | H12 | 118.8° | 120.0° |
| C1 | C2 | C3 | H21 | 121.8° | 120.0° |
| C1 | C2 | C3 | H22 | 121.8° | 120.0° |
| C1 | C2 | H21 | H22 | 117.0° | 120.0° |
| C1 | C2 | C3 | H31 | 178.7° | 180.0° |
| C1 | C2 | C3 | H32 | 61.4° | 60.0° |
| C1 | C2 | C3 | H33 | 58.7° | 60.0° |
| H11 | C1 | C2 | C3 | 50.4° | 60.0° |
| H11 | C1 | C2 | H21 | 71.4° | 180.0° |
| H11 | C1 | C2 | H22 | 172.3° | 60.0° |
| H12 | C1 | C2 | C3 | 168.4° | 60.0° |
| H12 | C1 | C2 | H21 | 46.6° | 60.0° |
| H12 | C1 | C2 | H22 | 69.8° | 180.0° |
| C3 | C2 | H21 | H22 | 116.9° | 120.0° |
| C2 | C3 | H31 | H32 | 119.9° | 120.0° |
| C2 | C3 | H31 | H33 | 120.0° | 120.0° |
| C2 | C3 | H32 | H33 | 120.0° | 120.0° |
| H21 | C2 | C3 | H31 | 56.9° | 60.0° |
| H21 | C2 | C3 | H32 | 176.8° | 60.0° |
| H21 | C2 | C3 | H33 | 63.2° | 180.0° |
| H22 | C2 | C3 | H31 | 59.4° | 60.0° |
| H22 | C2 | C3 | H32 | 60.5° | 180.0° |
| H22 | C2 | C3 | H33 | 179.5° | 60.0° |
| H31 | C3 | H32 | H33 | 120.1° | 120.0° |
