YS6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | C5 | doub | 1.71Å | 1.68Å | |
| C5 | N2 | sing | 1.35Å | 1.32Å | |
| C5 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C4 | sing | 1.39Å | 1.41Å | |
| C4 | C | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | N | doub | 1.32Å | 1.34Å | Aromatic |
| N | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | H21N | sing | 0.97Å | 1.00Å | |
| N2 | H22N | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | HA | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S | C5 | N2 | 121.8° | 120.0° |
| S | C5 | N1 | 120.6° | 120.0° |
| N2 | C5 | N1 | 117.5° | 120.0° |
| C5 | N2 | H21N | 120.0° | 119.9° |
| C5 | N2 | H22N | 120.0° | 120.0° |
| C5 | N1 | C4 | 131.4° | 120.0° |
| C5 | N1 | H1 | 114.3° | 120.0° |
| N1 | C4 | C | 117.0° | 120.8° |
| N1 | C4 | C3 | 124.6° | 120.9° |
| C4 | N1 | H1 | 114.3° | 120.0° |
| C | C4 | C3 | 118.3° | 118.3° |
| C4 | C | C1 | 118.5° | 119.1° |
| C4 | C | H | 120.8° | 120.4° |
| C4 | C3 | C2 | 118.6° | 119.1° |
| C4 | C3 | H3 | 120.7° | 120.5° |
| C | C1 | N | 124.1° | 120.8° |
| C1 | C | H | 120.8° | 120.5° |
| C | C1 | HA | 117.9° | 119.6° |
| C3 | C2 | N | 123.8° | 120.8° |
| C2 | C3 | H3 | 120.7° | 120.5° |
| C3 | C2 | H2 | 118.1° | 119.6° |
| C2 | N | C1 | 116.8° | 121.9° |
| N | C2 | H2 | 118.1° | 119.6° |
| N | C1 | HA | 118.0° | 119.6° |
| H21N | N2 | H22N | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | C5 | N2 | N1 | 179.8° | 179.7° |
| S | C5 | N1 | C4 | 0.9° | 5.5° |
| S | C5 | N2 | H21N | 0.0° | 0.1° |
| S | C5 | N2 | H22N | 180.0° | 180.0° |
| S | C5 | N1 | H1 | 179.1° | 174.5° |
| N2 | C5 | N1 | C4 | 179.4° | 174.1° |
| C5 | N2 | H21N | H22N | 180.0° | 179.9° |
| N2 | C5 | N1 | H1 | 0.6° | 5.8° |
| C5 | N1 | C4 | H1 | 180.0° | 180.0° |
| C5 | N1 | C4 | C | 160.8° | 139.0° |
| C5 | N1 | C4 | C3 | 23.8° | 41.3° |
| N1 | C5 | N2 | H21N | 179.8° | 179.7° |
| N1 | C5 | N2 | H22N | 0.2° | 0.3° |
| N1 | C4 | C | C3 | 175.7° | 179.7° |
| N1 | C4 | C | C1 | 174.5° | 180.0° |
| N1 | C4 | C3 | C2 | 174.5° | 180.0° |
| N1 | C4 | C | H | 5.4° | 0.1° |
| N1 | C4 | C3 | H3 | 5.5° | 0.0° |
| C4 | C | C1 | H | 180.0° | 179.9° |
| C | C4 | C3 | C2 | 0.8° | 0.3° |
| C4 | C | C1 | N | 0.8° | 0.0° |
| C | C4 | N1 | H1 | 19.2° | 41.0° |
| C | C4 | C3 | H3 | 179.2° | 179.7° |
| C4 | C | C1 | HA | 179.2° | 180.0° |
| C3 | C4 | C | C1 | 1.1° | 0.3° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | N | 0.1° | 0.1° |
| C3 | C4 | N1 | H1 | 156.2° | 138.7° |
| C3 | C4 | C | H | 178.9° | 179.7° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C | C1 | N | C2 | 0.1° | 0.2° |
| C | C1 | N | HA | 180.0° | 180.0° |
| C3 | C2 | N | H2 | 180.0° | 179.9° |
| C3 | C2 | N | C1 | 0.3° | 0.2° |
| N | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | N | C1 | HA | 179.9° | 179.8° |
| N | C1 | C | H | 179.2° | 180.0° |
| C1 | N | C2 | H2 | 179.7° | 179.7° |
| H | C | C1 | HA | 0.7° | 0.0° |
| H3 | C3 | C2 | H2 | 0.1° | 0.0° |
