9UX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| MO1 | O1 | doub | 1.96Å | 1.57Å | |
| MO1 | S1 | sing | 2.24Å | 2.29Å | |
| MO1 | S2 | sing | 2.24Å | 2.34Å | |
| MO2 | O2 | doub | 1.73Å | 1.47Å | |
| MO2 | S1 | sing | 2.38Å | 2.32Å | |
| MO2 | S2 | sing | 2.38Å | 2.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | MO1 | S1 | 112.3° | 101.5° |
| O1 | MO1 | S2 | 107.3° | 101.5° |
| S1 | MO1 | S2 | 98.5° | 94.1° |
| MO1 | S1 | MO2 | 78.1° | 86.6° |
| MO1 | S2 | MO2 | 77.0° | 86.6° |
| O2 | MO2 | S1 | 104.9° | 108.7° |
| O2 | MO2 | S2 | 111.8° | 108.7° |
| S1 | MO2 | S2 | 97.9° | 87.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | MO1 | S1 | S2 | 112.7° | 102.6° |
| O1 | MO1 | S1 | MO2 | 90.7° | 84.3° |
| O1 | MO1 | S2 | MO2 | 94.7° | 84.3° |
| MO1 | S1 | MO2 | O2 | 93.1° | 91.6° |
| S1 | MO1 | S2 | MO2 | 22.0° | 18.3° |
| MO1 | S2 | MO2 | O2 | 87.8° | 91.5° |
| O2 | MO2 | S1 | S2 | 115.1° | 108.8° |
