TX0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | doub | 1.33Å | 1.35Å | Aromatic |
| C3 | S | sing | 1.76Å | 1.75Å | Aromatic |
| C2 | C1 | sing | 1.44Å | 1.44Å | Aromatic |
| O | C | doub | 1.22Å | 1.33Å | |
| C1 | C | sing | 1.47Å | 1.50Å | |
| C1 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| S | C4 | sing | 1.70Å | 1.69Å | Aromatic |
| C | O1 | sing | 1.35Å | 1.25Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | S | 109.9° | 110.6° |
| C3 | C2 | C1 | 113.7° | 113.0° |
| C3 | C2 | H2 | 123.2° | 123.5° |
| C2 | C3 | H3 | 125.1° | 124.7° |
| C3 | S | C4 | 92.5° | 92.4° |
| S | C3 | H3 | 125.0° | 124.7° |
| C2 | C1 | C | 128.8° | 123.5° |
| C2 | C1 | C4 | 111.4° | 113.1° |
| C1 | C2 | H2 | 123.2° | 123.5° |
| O | C | C1 | 116.1° | 120.0° |
| O | C | O1 | 124.0° | 120.0° |
| C | C1 | C4 | 119.5° | 123.4° |
| C1 | C | O1 | 119.9° | 120.0° |
| C1 | C4 | S | 112.5° | 110.8° |
| C1 | C4 | H1 | 123.7° | 124.6° |
| S | C4 | H1 | 123.8° | 124.6° |
| C | O1 | H4 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | S | H3 | 180.0° | 179.8° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 174.3° | 179.9° |
| C3 | C2 | C1 | C4 | 0.3° | 0.0° |
| C2 | C3 | S | C4 | 0.9° | 0.3° |
| S | C3 | C2 | C1 | 0.5° | 0.2° |
| C3 | S | C4 | C1 | 1.0° | 0.2° |
| C3 | S | C4 | H1 | 179.0° | 179.9° |
| S | C3 | C2 | H2 | 179.5° | 179.8° |
| C2 | C1 | C | O | 6.1° | 0.0° |
| C2 | C1 | C | C4 | 174.2° | 179.9° |
| C2 | C1 | C4 | S | 0.9° | 0.2° |
| C2 | C1 | C | O1 | 172.3° | 180.0° |
| C2 | C1 | C4 | H1 | 179.1° | 180.0° |
| C1 | C2 | C3 | H3 | 179.5° | 180.0° |
| O | C | C1 | O1 | 178.4° | 180.0° |
| O | C | C1 | C4 | 179.7° | 179.9° |
| O | C | O1 | H4 | 0.0° | 0.1° |
| C | C1 | C4 | S | 174.2° | 179.7° |
| C | C1 | C4 | H1 | 5.8° | 0.1° |
| C | C1 | C2 | H2 | 5.7° | 0.1° |
| C1 | C | O1 | H4 | 178.2° | 180.0° |
| C1 | C4 | S | H1 | 180.0° | 179.8° |
| C4 | C1 | C | O1 | 1.9° | 0.1° |
| C4 | C1 | C2 | H2 | 179.7° | 180.0° |
| C4 | S | C3 | H3 | 179.1° | 179.9° |
| H2 | C2 | C3 | H3 | 0.5° | 0.0° |
