ACT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.22Å | 1.34Å | |
| C | OXT | sing | 1.22Å | 1.38Å | |
| C | CH3 | sing | 1.51Å | 1.47Å | |
| CH3 | H1 | sing | 1.09Å | 1.12Å | |
| CH3 | H2 | sing | 1.09Å | 1.11Å | |
| CH3 | H3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 124.7° | 120.0° |
| O | C | CH3 | 125.4° | 120.0° |
| OXT | C | CH3 | 109.0° | 120.0° |
| C | CH3 | H1 | 125.5° | 109.5° |
| C | CH3 | H2 | 106.6° | 109.5° |
| C | CH3 | H3 | 106.6° | 109.5° |
| H1 | CH3 | H2 | 106.6° | 109.4° |
| H1 | CH3 | H3 | 106.5° | 109.4° |
| H2 | CH3 | H3 | 103.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CH3 | 169.7° | 180.0° |
| O | C | CH3 | H1 | 180.0° | 90.0° |
| O | C | CH3 | H2 | 54.7° | 150.0° |
| O | C | CH3 | H3 | 54.8° | 30.0° |
| OXT | C | CH3 | H1 | 10.4° | 90.0° |
| OXT | C | CH3 | H2 | 114.9° | 30.0° |
| OXT | C | CH3 | H3 | 135.6° | 150.0° |
| C | CH3 | H1 | H2 | 125.3° | 120.0° |
| C | CH3 | H1 | H3 | 125.3° | 120.0° |
| C | CH3 | H2 | H3 | 112.0° | 120.0° |
| H1 | CH3 | H2 | H3 | 111.9° | 119.9° |
