3OH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.26Å | |
| C1 | O2 | sing | 1.34Å | 1.29Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.43Å | 1.20Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 124.9° | 120.0° |
| O1 | C1 | C2 | 123.0° | 120.0° |
| O2 | C1 | C2 | 112.1° | 120.1° |
| C1 | O2 | HO2 | 109.5° | 120.0° |
| C1 | C2 | C3 | 113.0° | 109.5° |
| C1 | C2 | H21 | 107.5° | 109.4° |
| C1 | C2 | H22 | 108.3° | 109.4° |
| C3 | C2 | H21 | 107.5° | 109.4° |
| C3 | C2 | H22 | 108.3° | 109.4° |
| C2 | C3 | O3 | 123.1° | 109.5° |
| C2 | C3 | H31 | 101.9° | 109.5° |
| C2 | C3 | H32 | 105.2° | 109.5° |
| H21 | C2 | H22 | 112.3° | 109.5° |
| O3 | C3 | H31 | 102.0° | 109.4° |
| O3 | C3 | H32 | 105.2° | 109.4° |
| C3 | O3 | HO3 | 109.5° | 106.9° |
| H31 | C3 | H32 | 120.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 176.9° | 180.0° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.0° |
| O1 | C1 | C2 | C3 | 62.6° | 0.0° |
| O1 | C1 | C2 | H21 | 179.0° | 120.0° |
| O1 | C1 | C2 | H22 | 57.4° | 120.0° |
| O2 | C1 | C2 | C3 | 120.5° | 180.0° |
| O2 | C1 | C2 | H21 | 2.0° | 60.0° |
| O2 | C1 | C2 | H22 | 119.6° | 60.0° |
| C2 | C1 | O2 | HO2 | 176.9° | 180.0° |
| C1 | C2 | C3 | H21 | 118.5° | 120.0° |
| C1 | C2 | C3 | H22 | 120.0° | 120.0° |
| C1 | C2 | H21 | H22 | 119.0° | 120.0° |
| C1 | C2 | C3 | O3 | 74.1° | 180.0° |
| C1 | C2 | C3 | H31 | 172.9° | 60.0° |
| C1 | C2 | C3 | H32 | 45.9° | 60.0° |
| C3 | C2 | H21 | H22 | 119.0° | 120.0° |
| C2 | C3 | O3 | H31 | 113.0° | 120.0° |
| C2 | C3 | O3 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 116.0° | 120.0° |
| C2 | C3 | O3 | HO3 | 107.7° | 180.0° |
| H21 | C2 | C3 | O3 | 44.4° | 60.0° |
| H21 | C2 | C3 | H31 | 68.6° | 180.0° |
| H21 | C2 | C3 | H32 | 164.4° | 60.0° |
| H22 | C2 | C3 | O3 | 165.9° | 60.0° |
| H22 | C2 | C3 | H31 | 52.9° | 60.0° |
| H22 | C2 | C3 | H32 | 74.0° | 180.0° |
| O3 | C3 | H31 | H32 | 116.0° | 119.9° |
| H31 | C3 | O3 | HO3 | 5.3° | 60.0° |
| H32 | C3 | O3 | HO3 | 132.3° | 60.0° |
