XTX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | MN1 | sing | 0.00Å | 1.94Å | |
| O2 | C2 | trip | 0.00Å | 1.19Å | |
| C1 | MN1 | sing | 0.00Å | 1.93Å | |
| O1 | C1 | trip | 0.00Å | 1.19Å | |
| MN1 | C3 | sing | 0.00Å | 1.94Å | |
| C3 | O3 | trip | 0.00Å | 1.19Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| MN1 | C2 | O2 | 178.1° | 90.0° |
| C2 | MN1 | C1 | 91.6° | 90.0° |
| C2 | MN1 | C3 | 86.7° | 90.0° |
| MN1 | C1 | O1 | 174.9° | 90.0° |
| C1 | MN1 | C3 | 87.2° | 90.0° |
| MN1 | C3 | O3 | 174.9° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | MN1 | C1 | C3 | 86.6° | 90.0° |
| C2 | MN1 | C1 | O1 | 28.0° | 90.0° |
| C2 | MN1 | C3 | O3 | 58.6° | 90.0° |
| O2 | C2 | MN1 | C1 | 92.3° | 90.0° |
| O2 | C2 | MN1 | C3 | 179.4° | 90.0° |
| C1 | MN1 | C3 | O3 | 33.1° | 90.0° |
| O1 | C1 | MN1 | C3 | 58.5° | 90.0° |






