AXO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| N | C1 | doub | 1.28Å | 1.23Å | |
| N | O1 | sing | 1.42Å | 1.30Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N | 120.1° | 120.0° |
| C2 | C1 | H1 | 120.0° | 120.1° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C1 | C2 | H5 | 109.5° | 109.5° |
| C1 | N | O1 | 99.7° | 120.0° |
| N | C1 | H1 | 120.0° | 119.9° |
| N | O1 | H7 | 109.5° | 114.0° |
| H3 | C2 | H4 | 109.4° | 109.5° |
| H3 | C2 | H5 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N | H1 | 180.0° | 179.7° |
| C2 | C1 | N | O1 | 178.3° | 179.7° |
| C1 | C2 | H3 | H4 | 120.0° | 120.0° |
| C1 | C2 | H3 | H5 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 120.0° | 120.0° |
| N | C1 | C2 | H3 | 180.0° | 59.7° |
| N | C1 | C2 | H4 | 60.0° | 60.3° |
| N | C1 | C2 | H5 | 60.0° | 179.7° |
| C1 | N | O1 | H7 | 180.0° | 180.0° |
| O1 | N | C1 | H1 | 1.7° | 0.0° |
| H1 | C1 | C2 | H3 | 0.0° | 120.0° |
| H1 | C1 | C2 | H4 | 120.0° | 120.0° |
| H1 | C1 | C2 | H5 | 120.0° | 0.0° |
| H3 | C2 | H4 | H5 | 120.0° | 120.0° |
