A1END
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.35Å | 1.35Å | |
| C2 | C1 | doub | 1.35Å | 1.36Å | |
| C2 | N1 | sing | 1.37Å | 1.36Å | |
| C1 | C4 | sing | 1.42Å | 1.42Å | |
| N1 | C3 | sing | 1.35Å | 1.37Å | |
| C4 | S1 | doub | 1.71Å | 1.69Å | |
| C4 | N2 | sing | 1.35Å | 1.37Å | |
| C3 | N2 | sing | 1.35Å | 1.37Å | |
| C3 | O1 | doub | 1.22Å | 1.22Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | C2 | 120.3° | 120.5° |
| F1 | C1 | C4 | 120.8° | 120.4° |
| C1 | C2 | N1 | 119.7° | 119.7° |
| C2 | C1 | C4 | 118.9° | 119.1° |
| C1 | C2 | H1 | 120.1° | 120.2° |
| C2 | N1 | C3 | 123.0° | 120.5° |
| C2 | N1 | H2 | 118.5° | 119.8° |
| N1 | C2 | H1 | 120.2° | 120.2° |
| C1 | C4 | S1 | 122.5° | 120.3° |
| C1 | C4 | N2 | 119.2° | 119.4° |
| N1 | C3 | N2 | 117.3° | 120.9° |
| N1 | C3 | O1 | 121.5° | 119.5° |
| C3 | N1 | H2 | 118.5° | 119.7° |
| S1 | C4 | N2 | 118.3° | 120.3° |
| C4 | N2 | C3 | 121.8° | 120.3° |
| C4 | N2 | H3 | 119.1° | 119.8° |
| N2 | C3 | O1 | 121.2° | 119.5° |
| C3 | N2 | H3 | 119.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | C2 | C4 | 179.4° | 179.8° |
| F1 | C1 | C2 | N1 | 177.8° | 179.8° |
| F1 | C1 | C4 | S1 | 1.9° | 0.0° |
| F1 | C1 | C4 | N2 | 177.7° | 179.5° |
| F1 | C1 | C2 | H1 | 2.3° | 0.3° |
| C1 | C2 | N1 | H1 | 180.0° | 180.0° |
| C1 | C2 | N1 | C3 | 1.6° | 0.0° |
| C2 | C1 | C4 | S1 | 178.8° | 179.8° |
| C2 | C1 | C4 | N2 | 1.6° | 0.7° |
| C1 | C2 | N1 | H2 | 178.3° | 179.7° |
| N1 | C2 | C1 | C4 | 1.6° | 0.5° |
| C2 | N1 | C3 | H2 | 180.0° | 179.7° |
| C2 | N1 | C3 | N2 | 1.6° | 0.3° |
| C2 | N1 | C3 | O1 | 178.6° | 179.8° |
| C1 | C4 | S1 | N2 | 179.6° | 179.5° |
| C1 | C4 | N2 | C3 | 1.7° | 0.5° |
| C4 | C1 | C2 | H1 | 178.4° | 179.5° |
| C1 | C4 | N2 | H3 | 178.3° | 180.0° |
| N1 | C3 | N2 | C4 | 1.6° | 0.0° |
| N1 | C3 | N2 | O1 | 179.8° | 180.0° |
| C3 | N1 | C2 | H1 | 178.3° | 180.0° |
| N1 | C3 | N2 | H3 | 178.4° | 179.5° |
| S1 | C4 | N2 | C3 | 178.7° | 180.0° |
| S1 | C4 | N2 | H3 | 1.3° | 0.5° |
| C4 | N2 | C3 | H3 | 180.0° | 179.5° |
| C4 | N2 | C3 | O1 | 178.6° | 180.0° |
| N2 | C3 | N1 | H2 | 178.4° | 180.0° |
| O1 | C3 | N1 | H2 | 1.4° | 0.1° |
| O1 | C3 | N2 | H3 | 1.5° | 0.5° |
| H2 | N1 | C2 | H1 | 1.7° | 0.3° |
