MEC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | O1 | sing | 1.45Å | 1.48Å | |
| C2 | H23 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| O1 | C3 | sing | 1.35Å | 1.34Å | |
| C3 | O2 | doub | 1.22Å | 1.23Å | |
| C3 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C4 | sing | 1.46Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C5 | H53 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | H23 | 113.3° | 109.4° |
| O1 | C2 | H22 | 110.7° | 109.5° |
| O1 | C2 | H21 | 110.7° | 109.4° |
| C2 | O1 | C3 | 113.4° | 120.1° |
| H23 | C2 | H22 | 110.9° | 109.5° |
| H23 | C2 | H21 | 110.8° | 109.5° |
| H22 | C2 | H21 | 99.6° | 109.5° |
| O1 | C3 | O2 | 128.2° | 119.9° |
| O1 | C3 | N1 | 108.3° | 120.1° |
| O2 | C3 | N1 | 122.8° | 120.0° |
| C3 | N1 | C4 | 124.1° | 120.0° |
| C3 | N1 | H1 | 112.9° | 120.0° |
| C4 | N1 | H1 | 123.0° | 120.0° |
| N1 | C4 | C5 | 112.0° | 109.5° |
| N1 | C4 | H42 | 111.3° | 109.5° |
| N1 | C4 | H41 | 111.3° | 109.5° |
| C5 | C4 | H42 | 111.2° | 109.5° |
| C5 | C4 | H41 | 111.2° | 109.5° |
| C4 | C5 | H53 | 112.0° | 109.6° |
| C4 | C5 | H52 | 111.2° | 109.5° |
| C4 | C5 | H51 | 111.2° | 109.5° |
| H42 | C4 | H41 | 99.1° | 109.5° |
| H53 | C5 | H52 | 111.3° | 109.4° |
| H53 | C5 | H51 | 111.3° | 109.4° |
| H52 | C5 | H51 | 99.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | H23 | H22 | 125.2° | 120.0° |
| O1 | C2 | H23 | H21 | 125.2° | 120.0° |
| O1 | C2 | H22 | H21 | 116.6° | 120.0° |
| C2 | O1 | C3 | O2 | 20.9° | 0.0° |
| C2 | O1 | C3 | N1 | 169.2° | 180.0° |
| H23 | C2 | H22 | H21 | 116.7° | 120.0° |
| H23 | C2 | O1 | C3 | 180.0° | 60.0° |
| H22 | C2 | O1 | C3 | 54.7° | 180.0° |
| H21 | C2 | O1 | C3 | 54.7° | 60.0° |
| O1 | C3 | O2 | N1 | 168.5° | 180.0° |
| O1 | C3 | N1 | C4 | 134.0° | 180.0° |
| O1 | C3 | N1 | H1 | 45.9° | 0.0° |
| O2 | C3 | N1 | C4 | 36.5° | 0.0° |
| O2 | C3 | N1 | H1 | 143.5° | 180.0° |
| C3 | N1 | C4 | H1 | 180.0° | 180.0° |
| C3 | N1 | C4 | C5 | 164.2° | 180.0° |
| C3 | N1 | C4 | H42 | 70.6° | 60.0° |
| C3 | N1 | C4 | H41 | 38.9° | 60.0° |
| N1 | C4 | C5 | H42 | 125.3° | 120.0° |
| N1 | C4 | C5 | H41 | 125.3° | 120.0° |
| N1 | C4 | H42 | H41 | 117.2° | 120.0° |
| N1 | C4 | C5 | H53 | 180.0° | 180.0° |
| N1 | C4 | C5 | H52 | 54.8° | 60.0° |
| N1 | C4 | C5 | H51 | 54.8° | 60.0° |
| H1 | N1 | C4 | C5 | 15.9° | 0.0° |
| H1 | N1 | C4 | H42 | 109.4° | 120.0° |
| H1 | N1 | C4 | H41 | 141.1° | 120.0° |
| C5 | C4 | H42 | H41 | 117.1° | 120.0° |
| C4 | C5 | H53 | H52 | 125.2° | 120.0° |
| C4 | C5 | H53 | H51 | 125.2° | 120.0° |
| C4 | C5 | H52 | H51 | 117.2° | 120.0° |
| H42 | C4 | C5 | H53 | 54.7° | 60.0° |
| H42 | C4 | C5 | H52 | 179.9° | 60.0° |
| H42 | C4 | C5 | H51 | 70.5° | 180.0° |
| H41 | C4 | C5 | H53 | 54.7° | 60.0° |
| H41 | C4 | C5 | H52 | 70.5° | 180.0° |
| H41 | C4 | C5 | H51 | 179.9° | 60.0° |
| H53 | C5 | H52 | H51 | 117.2° | 120.0° |
