A1ED7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | N3 | sing | 1.26Å | 1.38Å | Aromatic |
| N2 | C1 | doub | 1.30Å | 1.32Å | Aromatic |
| N3 | C2 | doub | 1.29Å | 1.29Å | Aromatic |
| N1 | C1 | sing | 1.39Å | 1.33Å | |
| C1 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C2 | S1 | sing | 1.77Å | 1.72Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | N2 | C1 | 112.1° | 117.6° |
| N2 | N3 | C2 | 112.6° | 117.9° |
| N2 | C1 | N1 | 124.2° | 126.2° |
| N2 | C1 | S1 | 113.4° | 107.7° |
| N3 | C2 | S1 | 115.0° | 107.9° |
| N3 | C2 | H3 | 122.5° | 126.0° |
| N1 | C1 | S1 | 122.5° | 126.1° |
| C1 | N1 | H1 | 109.5° | 120.0° |
| C1 | N1 | H2 | 109.4° | 120.0° |
| C1 | S1 | C2 | 86.8° | 88.8° |
| S1 | C2 | H3 | 122.5° | 126.1° |
| H1 | N1 | H2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | N2 | C1 | N1 | 178.7° | 180.0° |
| N3 | N2 | C1 | S1 | 1.2° | 0.0° |
| N2 | N3 | C2 | S1 | 1.4° | 0.0° |
| N2 | N3 | C2 | H3 | 178.6° | 180.0° |
| C1 | N2 | N3 | C2 | 0.1° | 0.0° |
| N2 | C1 | N1 | S1 | 179.9° | 180.0° |
| N2 | C1 | S1 | C2 | 1.6° | 0.0° |
| N2 | C1 | N1 | H1 | 0.0° | 180.0° |
| N2 | C1 | N1 | H2 | 120.0° | 0.3° |
| N3 | C2 | S1 | C1 | 1.7° | 0.0° |
| N3 | C2 | S1 | H3 | 180.0° | 180.0° |
| N1 | C1 | S1 | C2 | 178.3° | 180.0° |
| C1 | N1 | H1 | H2 | 120.0° | 179.7° |
| S1 | C1 | N1 | H1 | 179.9° | 0.0° |
| S1 | C1 | N1 | H2 | 59.8° | 179.7° |
| C1 | S1 | C2 | H3 | 178.3° | 180.0° |
