MEZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C5 | doub | 0.00Å | 1.23Å | |
| C5 | O3 | sing | 0.00Å | 1.30Å | |
| C5 | C3 | sing | 0.00Å | 1.56Å | |
| O3 | HO3 | sing | 0.00Å | 0.95Å | |
| C3 | C4 | sing | 0.00Å | 1.54Å | |
| C3 | C2 | doub | 0.00Å | 1.42Å | |
| C4 | H41 | sing | 0.00Å | 1.12Å | |
| C4 | H42 | sing | 0.00Å | 1.11Å | |
| C4 | H43 | sing | 0.00Å | 1.11Å | |
| C2 | C1 | sing | 0.00Å | 1.41Å | |
| C2 | H2 | sing | 0.00Å | 1.10Å | |
| C1 | O1 | sing | 0.00Å | 1.20Å | |
| C1 | O2 | doub | 0.00Å | 1.22Å | |
| O1 | HO1 | sing | 0.00Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C5 | O3 | 119.9° | 90.0° |
| O4 | C5 | C3 | 116.4° | 90.0° |
| O3 | C5 | C3 | 123.6° | 90.0° |
| C5 | O3 | HO3 | 119.9° | 90.0° |
| C5 | C3 | C4 | 117.2° | 90.0° |
| C5 | C3 | C2 | 117.1° | 90.0° |
| C4 | C3 | C2 | 125.7° | 90.0° |
| C3 | C4 | H41 | 109.4° | 90.0° |
| C3 | C4 | H42 | 117.2° | 90.0° |
| C3 | C4 | H43 | 109.4° | 90.0° |
| C3 | C2 | C1 | 117.5° | 90.0° |
| C3 | C2 | H2 | 121.8° | 90.0° |
| H41 | C4 | H42 | 109.4° | 90.0° |
| H41 | C4 | H43 | 100.7° | 90.0° |
| H42 | C4 | H43 | 109.4° | 90.0° |
| C1 | C2 | H2 | 120.7° | 90.0° |
| C2 | C1 | O1 | 111.1° | 90.0° |
| C2 | C1 | O2 | 118.6° | 90.0° |
| O1 | C1 | O2 | 129.3° | 90.0° |
| C1 | O1 | HO1 | 111.1° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C5 | O3 | C3 | 175.9° | 90.0° |
| O4 | C5 | O3 | HO3 | 180.0° | 90.0° |
| O4 | C5 | C3 | C4 | 3.5° | 90.0° |
| O4 | C5 | C3 | C2 | 177.0° | 90.0° |
| O3 | C5 | C3 | C4 | 172.6° | 90.0° |
| O3 | C5 | C3 | C2 | 7.0° | 90.0° |
| C3 | C5 | O3 | HO3 | 4.1° | 90.0° |
| C5 | C3 | C4 | C2 | 179.5° | 90.0° |
| C5 | C3 | C4 | H41 | 54.7° | 90.0° |
| C5 | C3 | C4 | H42 | 180.0° | 90.0° |
| C5 | C3 | C4 | H43 | 54.8° | 90.0° |
| C5 | C3 | C2 | C1 | 171.5° | 90.0° |
| C5 | C3 | C2 | H2 | 8.5° | 90.0° |
| C3 | C4 | H41 | H42 | 129.6° | 90.0° |
| C3 | C4 | H41 | H43 | 115.2° | 90.0° |
| C3 | C4 | H42 | H43 | 125.3° | 90.0° |
| C4 | C3 | C2 | C1 | 8.0° | 90.0° |
| C4 | C3 | C2 | H2 | 172.0° | 90.0° |
| C2 | C3 | C4 | H41 | 125.8° | 90.0° |
| C2 | C3 | C4 | H42 | 0.5° | 90.0° |
| C2 | C3 | C4 | H43 | 124.7° | 90.0° |
| C3 | C2 | C1 | H2 | 180.0° | 90.0° |
| C3 | C2 | C1 | O1 | 100.5° | 90.0° |
| C3 | C2 | C1 | O2 | 69.4° | 90.0° |
| H41 | C4 | H42 | H43 | 109.4° | 90.0° |
| C2 | C1 | O1 | O2 | 168.6° | 90.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 90.0° |
| H2 | C2 | C1 | O1 | 79.5° | 90.0° |
| H2 | C2 | C1 | O2 | 110.6° | 90.0° |
| O2 | C1 | O1 | HO1 | 11.4° | 90.0° |
