ACY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.30Å | |
| C | OXT | sing | 1.34Å | 1.28Å | |
| C | CH3 | sing | 1.51Å | 1.52Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CH3 | H1 | sing | 1.09Å | 1.10Å | |
| CH3 | H2 | sing | 1.09Å | 1.10Å | |
| CH3 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 127.4° | 120.0° |
| O | C | CH3 | 113.3° | 120.0° |
| OXT | C | CH3 | 119.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.1° |
| C | CH3 | H1 | 109.5° | 109.5° |
| C | CH3 | H2 | 109.5° | 109.5° |
| C | CH3 | H3 | 109.4° | 109.5° |
| H1 | CH3 | H2 | 109.4° | 109.5° |
| H1 | CH3 | H3 | 109.5° | 109.5° |
| H2 | CH3 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CH3 | 177.2° | 179.7° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O | C | CH3 | H1 | 0.0° | 90.0° |
| O | C | CH3 | H2 | 120.0° | 150.0° |
| O | C | CH3 | H3 | 120.0° | 30.0° |
| OXT | C | CH3 | H1 | 177.6° | 90.3° |
| OXT | C | CH3 | H2 | 62.4° | 29.7° |
| OXT | C | CH3 | H3 | 57.6° | 149.7° |
| CH3 | C | OXT | HXT | 177.2° | 179.7° |
| C | CH3 | H1 | H2 | 120.0° | 120.0° |
| C | CH3 | H1 | H3 | 120.0° | 120.0° |
| C | CH3 | H2 | H3 | 120.0° | 120.0° |
| H1 | CH3 | H2 | H3 | 120.0° | 120.0° |
