FQI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C4 | sing | 1.74Å | 1.71Å | |
| C4 | C3 | doub | 1.34Å | 1.35Å | Aromatic |
| C4 | S | sing | 1.71Å | 1.72Å | Aromatic |
| C3 | C2 | sing | 1.37Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.37Å | 1.37Å | Aromatic |
| S | C1 | sing | 1.76Å | 1.73Å | Aromatic |
| C1 | C | sing | 1.46Å | 1.44Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| C | N | sing | 1.35Å | 1.33Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N | HN1 | sing | 0.97Å | 1.00Å | |
| N | HN2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C4 | C3 | 127.0° | 124.5° |
| CL | C4 | S | 119.5° | 124.6° |
| C3 | C4 | S | 113.4° | 110.9° |
| C4 | C3 | C2 | 111.5° | 115.1° |
| C4 | C3 | H3 | 124.2° | 122.5° |
| C4 | S | C1 | 90.6° | 91.6° |
| C3 | C2 | C1 | 113.7° | 113.3° |
| C2 | C3 | H3 | 124.3° | 122.4° |
| C3 | C2 | H2 | 123.1° | 123.4° |
| C2 | C1 | S | 110.7° | 109.1° |
| C2 | C1 | C | 128.8° | 125.5° |
| C1 | C2 | H2 | 123.1° | 123.3° |
| S | C1 | C | 120.5° | 125.4° |
| C1 | C | O | 118.6° | 120.0° |
| C1 | C | N | 117.5° | 120.0° |
| O | C | N | 123.9° | 119.9° |
| C | N | HN1 | 120.0° | 120.0° |
| C | N | HN2 | 120.0° | 120.0° |
| HN1 | N | HN2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C4 | C3 | S | 179.6° | 179.8° |
| CL | C4 | C3 | C2 | 179.7° | 180.0° |
| CL | C4 | S | C1 | 179.5° | 180.0° |
| CL | C4 | C3 | H3 | 0.4° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C3 | C4 | S | C1 | 0.9° | 0.2° |
| C4 | C3 | C2 | H2 | 179.9° | 179.8° |
| S | C4 | C3 | C2 | 0.7° | 0.2° |
| C4 | S | C1 | C2 | 0.8° | 0.2° |
| C4 | S | C1 | C | 178.6° | 179.8° |
| S | C4 | C3 | H3 | 179.3° | 179.9° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | S | 0.5° | 0.1° |
| C3 | C2 | C1 | C | 178.8° | 179.9° |
| C2 | C1 | S | C | 179.4° | 180.0° |
| C2 | C1 | C | O | 165.2° | 0.0° |
| C2 | C1 | C | N | 14.3° | 180.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| S | C1 | C | O | 15.5° | 180.0° |
| S | C1 | C | N | 165.0° | 0.0° |
| S | C1 | C2 | H2 | 179.4° | 180.0° |
| C1 | C | O | N | 179.4° | 180.0° |
| C | C1 | C2 | H2 | 1.2° | 0.0° |
| C1 | C | N | HN1 | 179.4° | 179.9° |
| C1 | C | N | HN2 | 0.6° | 0.0° |
| O | C | N | HN1 | 0.0° | 0.1° |
| O | C | N | HN2 | 180.0° | 180.0° |
| C | N | HN1 | HN2 | 180.0° | 179.9° |
| H3 | C3 | C2 | H2 | 0.1° | 0.1° |
