03S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S10 | O11 | doub | 1.42Å | 1.43Å | |
| O12 | S10 | doub | 1.42Å | 1.43Å | |
| C13 | S10 | sing | 1.81Å | 1.75Å | |
| C13 | H113 | sing | 1.09Å | 1.10Å | |
| C13 | H213 | sing | 1.09Å | 1.10Å | |
| C13 | H313 | sing | 1.09Å | 1.10Å | |
| S10 | OXT | sing | 1.52Å | 35.16Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | S10 | O12 | 119.2° | 121.0° |
| O11 | S10 | C13 | 108.5° | 110.6° |
| O11 | S10 | OXT | 133.7° | 104.3° |
| O12 | S10 | C13 | 108.3° | 110.6° |
| O12 | S10 | OXT | 82.8° | 104.3° |
| S10 | C13 | H113 | 109.5° | 109.5° |
| S10 | C13 | H213 | 109.5° | 109.5° |
| S10 | C13 | H313 | 109.4° | 109.5° |
| C13 | S10 | OXT | 28.2° | 104.5° |
| H113 | C13 | H213 | 109.5° | 109.4° |
| H113 | C13 | H313 | 109.5° | 109.4° |
| H213 | C13 | H313 | 109.5° | 109.4° |
| S10 | OXT | HXT | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | S10 | O12 | C13 | 124.5° | 131.5° |
| O11 | S10 | O12 | OXT | 136.6° | 116.7° |
| O11 | S10 | C13 | OXT | 156.7° | 111.6° |
| O11 | S10 | C13 | H113 | 180.0° | 51.6° |
| O11 | S10 | C13 | H213 | 60.0° | 171.6° |
| O11 | S10 | C13 | H313 | 60.0° | 68.4° |
| O11 | S10 | OXT | HXT | 90.0° | 63.9° |
| O12 | S10 | C13 | OXT | 26.1° | 111.7° |
| O12 | S10 | C13 | H113 | 49.3° | 171.6° |
| O12 | S10 | C13 | H213 | 169.3° | 51.7° |
| O12 | S10 | C13 | H313 | 70.7° | 68.3° |
| O12 | S10 | OXT | HXT | 90.0° | 63.9° |
| S10 | C13 | H113 | H213 | 120.0° | 120.0° |
| S10 | C13 | H113 | H313 | 120.0° | 120.1° |
| S10 | C13 | H213 | H313 | 119.9° | 120.1° |
| C13 | S10 | OXT | HXT | 90.0° | 180.0° |
| H113 | C13 | H213 | H313 | 120.0° | 119.9° |
| H113 | C13 | S10 | OXT | 23.3° | 60.0° |
| H213 | C13 | S10 | OXT | 143.3° | 60.0° |
| H313 | C13 | S10 | OXT | 96.7° | 180.0° |
