EMB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H13 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C2 | O1 | sing | 1.45Å | 1.47Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| O1 | C3 | sing | 1.35Å | 1.34Å | |
| C3 | O2 | doub | 1.21Å | 1.23Å | |
| C3 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.02Å | |
| C4 | H43 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H13 | 111.2° | 109.4° |
| C2 | C1 | H12 | 111.6° | 109.5° |
| C2 | C1 | H11 | 111.6° | 109.4° |
| C1 | C2 | O1 | 111.2° | 109.5° |
| C1 | C2 | H22 | 111.6° | 109.5° |
| C1 | C2 | H21 | 111.6° | 109.5° |
| H13 | C1 | H12 | 111.6° | 109.5° |
| H13 | C1 | H11 | 111.6° | 109.5° |
| H12 | C1 | H11 | 98.8° | 109.5° |
| O1 | C2 | H22 | 111.5° | 109.5° |
| O1 | C2 | H21 | 111.6° | 109.5° |
| C2 | O1 | C3 | 113.0° | 120.0° |
| H22 | C2 | H21 | 98.8° | 109.5° |
| O1 | C3 | O2 | 127.8° | 120.0° |
| O1 | C3 | N1 | 108.2° | 120.0° |
| O2 | C3 | N1 | 122.7° | 120.0° |
| C3 | N1 | C4 | 124.1° | 120.0° |
| C3 | N1 | H1 | 113.0° | 120.0° |
| C4 | N1 | H1 | 122.9° | 120.0° |
| N1 | C4 | H43 | 124.1° | 109.4° |
| N1 | C4 | H42 | 107.0° | 109.5° |
| N1 | C4 | H41 | 107.1° | 109.5° |
| H43 | C4 | H42 | 107.0° | 109.4° |
| H43 | C4 | H41 | 107.0° | 109.4° |
| H42 | C4 | H41 | 102.7° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H13 | H12 | 125.3° | 120.0° |
| C2 | C1 | H13 | H11 | 125.3° | 119.9° |
| C2 | C1 | H12 | H11 | 117.5° | 120.0° |
| C1 | C2 | O1 | H22 | 125.2° | 120.0° |
| C1 | C2 | O1 | H21 | 125.3° | 120.0° |
| C1 | C2 | H22 | H21 | 117.5° | 120.0° |
| C1 | C2 | O1 | C3 | 151.2° | 180.0° |
| H13 | C1 | H12 | H11 | 117.5° | 120.0° |
| H13 | C1 | C2 | O1 | 180.0° | 60.0° |
| H13 | C1 | C2 | H22 | 54.8° | 180.0° |
| H13 | C1 | C2 | H21 | 54.7° | 60.0° |
| H12 | C1 | C2 | O1 | 54.7° | 180.0° |
| H12 | C1 | C2 | H22 | 70.5° | 60.0° |
| H12 | C1 | C2 | H21 | 180.0° | 60.0° |
| H11 | C1 | C2 | O1 | 54.7° | 60.0° |
| H11 | C1 | C2 | H22 | 179.9° | 60.0° |
| H11 | C1 | C2 | H21 | 70.5° | 180.0° |
| O1 | C2 | H22 | H21 | 117.4° | 120.0° |
| C2 | O1 | C3 | O2 | 16.3° | 0.0° |
| C2 | O1 | C3 | N1 | 176.4° | 180.0° |
| H22 | C2 | O1 | C3 | 26.0° | 60.0° |
| H21 | C2 | O1 | C3 | 83.5° | 60.0° |
| O1 | C3 | O2 | N1 | 165.7° | 180.0° |
| O1 | C3 | N1 | C4 | 158.9° | 180.0° |
| O1 | C3 | N1 | H1 | 21.1° | 0.0° |
| O2 | C3 | N1 | C4 | 9.3° | 0.0° |
| O2 | C3 | N1 | H1 | 170.7° | 180.0° |
| C3 | N1 | C4 | H1 | 180.0° | 180.0° |
| C3 | N1 | C4 | H43 | 180.0° | 180.0° |
| C3 | N1 | C4 | H42 | 54.8° | 60.1° |
| C3 | N1 | C4 | H41 | 54.8° | 60.1° |
| N1 | C4 | H43 | H42 | 125.2° | 120.0° |
| N1 | C4 | H43 | H41 | 125.3° | 120.0° |
| N1 | C4 | H42 | H41 | 112.5° | 120.1° |
| H1 | N1 | C4 | H43 | 0.0° | 0.0° |
| H1 | N1 | C4 | H42 | 125.2° | 119.9° |
| H1 | N1 | C4 | H41 | 125.2° | 119.9° |
| H43 | C4 | H42 | H41 | 112.5° | 120.0° |
