8M2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C5 | doub | 1.33Å | 1.35Å | Aromatic |
| C3 | C1 | sing | 1.44Å | 1.43Å | Aromatic |
| C5 | S1 | sing | 1.75Å | 1.72Å | Aromatic |
| N1 | C2 | doub | 1.33Å | 1.31Å | |
| C2 | N2 | sing | 1.33Å | 1.31Å | |
| C2 | C1 | sing | 1.47Å | 1.43Å | |
| C1 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| S1 | C4 | sing | 1.70Å | 1.70Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.08Å | |
| C5 | HC5 | sing | 1.08Å | 1.08Å | |
| C3 | HC3 | sing | 1.08Å | 1.08Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C3 | C1 | 113.4° | 113.1° |
| C3 | C5 | S1 | 111.1° | 110.5° |
| C3 | C5 | HC5 | 124.4° | 124.7° |
| C5 | C3 | HC3 | 123.3° | 123.5° |
| C3 | C1 | C2 | 123.1° | 123.4° |
| C3 | C1 | C4 | 111.2° | 113.1° |
| C1 | C3 | HC3 | 123.3° | 123.4° |
| C5 | S1 | C4 | 92.0° | 92.5° |
| S1 | C5 | HC5 | 124.5° | 124.8° |
| N1 | C2 | N2 | 120.8° | 119.9° |
| N1 | C2 | C1 | 120.0° | 120.0° |
| C2 | N1 | HN1 | 120.0° | 120.0° |
| C2 | N1 | H1 | 120.0° | 120.0° |
| N2 | C2 | C1 | 119.2° | 120.0° |
| C2 | N2 | HN21 | 120.0° | 120.0° |
| C2 | N2 | HN22 | 120.0° | 120.1° |
| C2 | C1 | C4 | 125.7° | 123.5° |
| C1 | C4 | S1 | 112.3° | 110.8° |
| C1 | C4 | HC4 | 123.9° | 124.6° |
| S1 | C4 | HC4 | 123.8° | 124.6° |
| HN21 | N2 | HN22 | 120.0° | 120.0° |
| HN1 | N1 | H1 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C3 | C1 | HC3 | 180.0° | 179.8° |
| C3 | C5 | S1 | HC5 | 180.0° | 180.0° |
| C5 | C3 | C1 | C2 | 178.4° | 180.0° |
| C5 | C3 | C1 | C4 | 0.5° | 0.4° |
| C3 | C5 | S1 | C4 | 0.3° | 0.0° |
| C1 | C3 | C5 | S1 | 0.5° | 0.2° |
| C3 | C1 | C2 | N1 | 158.4° | 30.1° |
| C3 | C1 | C2 | N2 | 20.6° | 150.0° |
| C3 | C1 | C2 | C4 | 178.8° | 179.6° |
| C3 | C1 | C4 | S1 | 0.3° | 0.4° |
| C3 | C1 | C4 | HC4 | 179.7° | 179.9° |
| C1 | C3 | C5 | HC5 | 179.5° | 179.8° |
| C5 | S1 | C4 | C1 | 0.0° | 0.3° |
| C5 | S1 | C4 | HC4 | 180.0° | 179.9° |
| S1 | C5 | C3 | HC3 | 179.5° | 180.0° |
| N1 | C2 | N2 | C1 | 179.0° | 179.9° |
| N1 | C2 | C1 | C4 | 20.4° | 149.5° |
| N1 | C2 | N2 | HN21 | 179.0° | 180.0° |
| N1 | C2 | N2 | HN22 | 1.1° | 0.1° |
| C2 | N1 | HN1 | H1 | 180.0° | 179.9° |
| N2 | C2 | C1 | C4 | 160.6° | 30.4° |
| C2 | N2 | HN21 | HN22 | 180.0° | 179.9° |
| N2 | C2 | N1 | HN1 | 179.0° | 0.1° |
| N2 | C2 | N1 | H1 | 1.0° | 180.0° |
| C2 | C1 | C4 | S1 | 178.6° | 179.9° |
| C2 | C1 | C4 | HC4 | 1.4° | 0.3° |
| C2 | C1 | C3 | HC3 | 1.6° | 0.2° |
| C1 | C2 | N2 | HN21 | 0.0° | 0.1° |
| C1 | C2 | N2 | HN22 | 180.0° | 180.0° |
| C1 | C2 | N1 | HN1 | 0.0° | 180.0° |
| C1 | C2 | N1 | H1 | 180.0° | 0.1° |
| C1 | C4 | S1 | HC4 | 180.0° | 179.7° |
| C4 | C1 | C3 | HC3 | 179.5° | 179.8° |
| C4 | S1 | C5 | HC5 | 179.8° | 180.0° |
| HC5 | C5 | C3 | HC3 | 0.5° | 0.0° |
