EMM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N | sing | 1.39Å | 1.42Å | |
| C1 | C3 | doub | 1.32Å | 1.35Å | |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | N | sing | 1.47Å | 1.50Å | |
| C2 | H2C1 | sing | 1.09Å | 1.12Å | |
| C2 | H2C2 | sing | 1.09Å | 1.11Å | |
| C2 | H2C3 | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| C | N | sing | 1.35Å | 1.53Å | |
| C | OXT | sing | 1.35Å | 1.44Å | |
| C3 | H3C1 | sing | 1.08Å | 1.10Å | |
| C3 | H3C2 | sing | 1.08Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C1 | C3 | 117.8° | 120.1° |
| N | C1 | H1 | 121.1° | 120.0° |
| C1 | N | C2 | 118.0° | 119.9° |
| C1 | N | C | 116.4° | 120.1° |
| C3 | C1 | H1 | 121.1° | 120.0° |
| C1 | C3 | H3C1 | 117.8° | 120.0° |
| C1 | C3 | H3C2 | 121.1° | 120.0° |
| N | C2 | H2C1 | 118.0° | 109.5° |
| N | C2 | H2C2 | 109.1° | 109.5° |
| N | C2 | H2C3 | 109.2° | 109.5° |
| C2 | N | C | 123.3° | 120.0° |
| H2C1 | C2 | H2C2 | 109.1° | 109.4° |
| H2C1 | C2 | H2C3 | 109.2° | 109.4° |
| H2C2 | C2 | H2C3 | 100.9° | 109.4° |
| O | C | N | 109.7° | 120.0° |
| O | C | OXT | 117.8° | 120.0° |
| N | C | OXT | 113.9° | 120.0° |
| C | OXT | HXT | 117.8° | 120.0° |
| H3C1 | C3 | H3C2 | 121.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | C3 | H1 | 180.0° | 180.0° |
| C1 | N | C2 | C | 161.8° | 180.0° |
| C1 | N | C2 | H2C1 | 180.0° | 180.0° |
| C1 | N | C2 | H2C2 | 54.7° | 60.0° |
| C1 | N | C2 | H2C3 | 54.7° | 60.0° |
| C1 | N | C | O | 124.8° | 0.0° |
| C1 | N | C | OXT | 9.7° | 180.0° |
| N | C1 | C3 | H3C1 | 180.0° | 180.0° |
| N | C1 | C3 | H3C2 | 0.0° | 0.0° |
| C3 | C1 | N | C2 | 124.7° | 0.0° |
| C3 | C1 | N | C | 72.2° | 180.0° |
| C1 | C3 | H3C1 | H3C2 | 180.0° | 180.0° |
| H1 | C1 | N | C2 | 55.3° | 180.0° |
| H1 | C1 | N | C | 107.8° | 0.0° |
| H1 | C1 | C3 | H3C1 | 0.0° | 0.0° |
| H1 | C1 | C3 | H3C2 | 180.0° | 180.0° |
| N | C2 | H2C1 | H2C2 | 125.2° | 120.1° |
| N | C2 | H2C1 | H2C3 | 125.3° | 120.1° |
| N | C2 | H2C2 | H2C3 | 114.9° | 120.1° |
| C2 | N | C | O | 37.3° | 180.0° |
| C2 | N | C | OXT | 171.8° | 0.0° |
| H2C1 | C2 | H2C2 | H2C3 | 114.9° | 119.9° |
| H2C1 | C2 | N | C | 18.2° | 0.0° |
| H2C2 | C2 | N | C | 143.4° | 120.0° |
| H2C3 | C2 | N | C | 107.1° | 120.0° |
| O | C | N | OXT | 134.4° | 180.0° |
| O | C | OXT | HXT | 180.0° | 0.0° |
| N | C | OXT | HXT | 49.4° | 180.0° |
