MXE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.48Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | O2 | sing | 1.43Å | 1.38Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| O2 | C3 | sing | 1.43Å | 1.47Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C3 | H33 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 137.0° | 106.8° |
| O1 | C1 | C2 | 137.0° | 109.5° |
| O1 | C1 | H11 | 102.8° | 109.5° |
| O1 | C1 | H12 | 102.8° | 109.4° |
| C2 | C1 | H11 | 102.8° | 109.5° |
| C2 | C1 | H12 | 102.8° | 109.5° |
| C1 | C2 | O2 | 139.0° | 109.5° |
| C1 | C2 | H21 | 102.2° | 109.5° |
| C1 | C2 | H22 | 102.2° | 109.5° |
| H11 | C1 | H12 | 105.5° | 109.4° |
| O2 | C2 | H21 | 102.2° | 109.4° |
| O2 | C2 | H22 | 102.2° | 109.5° |
| C2 | O2 | C3 | 154.0° | 106.8° |
| H21 | C2 | H22 | 105.9° | 109.5° |
| O2 | C3 | H31 | 153.9° | 109.5° |
| O2 | C3 | H32 | 97.6° | 109.5° |
| O2 | C3 | H33 | 97.6° | 109.4° |
| H31 | C3 | H32 | 97.5° | 109.5° |
| H31 | C3 | H33 | 97.6° | 109.4° |
| H32 | C3 | H33 | 108.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H11 | 125.3° | 120.1° |
| O1 | C1 | C2 | H12 | 125.2° | 120.0° |
| O1 | C1 | H11 | H12 | 107.4° | 119.9° |
| O1 | C1 | C2 | O2 | 90.1° | 59.9° |
| O1 | C1 | C2 | H21 | 35.1° | 60.0° |
| O1 | C1 | C2 | H22 | 144.6° | 180.0° |
| HO1 | O1 | C1 | C2 | 180.0° | 180.0° |
| HO1 | O1 | C1 | H11 | 54.7° | 59.9° |
| HO1 | O1 | C1 | H12 | 54.8° | 60.0° |
| C2 | C1 | H11 | H12 | 107.4° | 120.0° |
| C1 | C2 | O2 | H21 | 125.3° | 120.0° |
| C1 | C2 | O2 | H22 | 125.2° | 120.0° |
| C1 | C2 | H21 | H22 | 106.7° | 120.0° |
| C1 | C2 | O2 | C3 | 101.2° | 180.0° |
| H11 | C1 | C2 | O2 | 144.5° | 180.0° |
| H11 | C1 | C2 | H21 | 90.2° | 60.0° |
| H11 | C1 | C2 | H22 | 19.3° | 60.0° |
| H12 | C1 | C2 | O2 | 35.1° | 60.0° |
| H12 | C1 | C2 | H21 | 160.3° | 180.0° |
| H12 | C1 | C2 | H22 | 90.2° | 60.0° |
| O2 | C2 | H21 | H22 | 106.6° | 120.0° |
| C2 | O2 | C3 | H31 | 179.9° | 180.0° |
| C2 | O2 | C3 | H32 | 54.8° | 59.9° |
| C2 | O2 | C3 | H33 | 54.7° | 60.0° |
| H21 | C2 | O2 | C3 | 24.0° | 60.0° |
| H22 | C2 | O2 | C3 | 133.5° | 59.9° |
| O2 | C3 | H31 | H32 | 125.1° | 120.1° |
| O2 | C3 | H31 | H33 | 125.3° | 119.9° |
| O2 | C3 | H32 | H33 | 100.6° | 119.9° |
| H31 | C3 | H32 | H33 | 100.6° | 120.0° |
