YW6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C2 | doub | 1.34Å | 1.33Å | Aromatic |
| C5 | O6 | sing | 1.34Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.42Å | Aromatic |
| O6 | C3 | sing | 1.34Å | 1.36Å | Aromatic |
| C1 | C3 | doub | 1.34Å | 1.33Å | Aromatic |
| C1 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C7 | sing | 1.51Å | 1.52Å | |
| O9 | C7 | doub | 1.21Å | 1.26Å | |
| C7 | O8 | sing | 1.34Å | 1.26Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O8 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C5 | O6 | 109.9° | 108.5° |
| C5 | C2 | C1 | 107.1° | 106.8° |
| C2 | C5 | H5 | 125.0° | 125.8° |
| C5 | C2 | H2 | 126.4° | 126.6° |
| C5 | O6 | C3 | 106.2° | 109.5° |
| O6 | C5 | H5 | 125.0° | 125.8° |
| C2 | C1 | C3 | 105.8° | 106.8° |
| C2 | C1 | C4 | 126.0° | 126.6° |
| C1 | C2 | H2 | 126.4° | 126.6° |
| O6 | C3 | C1 | 111.0° | 108.5° |
| O6 | C3 | H3 | 124.5° | 125.8° |
| C3 | C1 | C4 | 128.0° | 126.6° |
| C1 | C3 | H3 | 124.5° | 125.7° |
| C1 | C4 | C7 | 112.8° | 109.5° |
| C1 | C4 | H4A | 108.6° | 109.5° |
| C1 | C4 | H4B | 108.6° | 109.5° |
| C4 | C7 | O9 | 116.8° | 120.0° |
| C4 | C7 | O8 | 118.2° | 120.0° |
| C7 | C4 | H4A | 108.6° | 109.5° |
| C7 | C4 | H4B | 108.6° | 109.5° |
| O9 | C7 | O8 | 125.1° | 120.0° |
| C7 | O8 | H1 | 109.5° | 117.0° |
| H4A | C4 | H4B | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C5 | O6 | H5 | 180.0° | 179.7° |
| C5 | C2 | C1 | H2 | 180.0° | 180.0° |
| C2 | C5 | O6 | C3 | 0.0° | 0.1° |
| C5 | C2 | C1 | C3 | 0.3° | 0.0° |
| C5 | C2 | C1 | C4 | 174.9° | 180.0° |
| O6 | C5 | C2 | C1 | 0.2° | 0.0° |
| C5 | O6 | C3 | C1 | 0.2° | 0.0° |
| O6 | C5 | C2 | H2 | 179.8° | 180.0° |
| C5 | O6 | C3 | H3 | 179.8° | 180.0° |
| C2 | C1 | C3 | O6 | 0.3° | 0.0° |
| C2 | C1 | C3 | C4 | 175.0° | 180.0° |
| C2 | C1 | C4 | C7 | 79.0° | 90.0° |
| C2 | C1 | C4 | H4A | 160.5° | 149.9° |
| C2 | C1 | C4 | H4B | 41.5° | 30.0° |
| C1 | C2 | C5 | H5 | 179.8° | 179.8° |
| C2 | C1 | C3 | H3 | 179.7° | 180.0° |
| O6 | C3 | C1 | H3 | 180.0° | 180.0° |
| O6 | C3 | C1 | C4 | 174.7° | 180.0° |
| C3 | O6 | C5 | H5 | 180.0° | 179.8° |
| C3 | C1 | C4 | C7 | 95.1° | 90.0° |
| C3 | C1 | C4 | H4A | 25.4° | 30.1° |
| C3 | C1 | C4 | H4B | 144.4° | 150.0° |
| C3 | C1 | C2 | H2 | 179.7° | 180.0° |
| C1 | C4 | C7 | H4A | 120.5° | 120.0° |
| C1 | C4 | C7 | H4B | 120.5° | 120.0° |
| C1 | C4 | C7 | O9 | 61.1° | 0.0° |
| C1 | C4 | C7 | O8 | 118.5° | 180.0° |
| C1 | C4 | H4A | H4B | 118.5° | 120.0° |
| C4 | C1 | C2 | H2 | 5.1° | 0.0° |
| C4 | C1 | C3 | H3 | 5.3° | 0.0° |
| C4 | C7 | O9 | O8 | 179.5° | 179.9° |
| C7 | C4 | H4A | H4B | 118.5° | 120.0° |
| C4 | C7 | O8 | H1 | 179.5° | 179.9° |
| O9 | C7 | C4 | H4A | 178.4° | 120.0° |
| O9 | C7 | C4 | H4B | 59.4° | 120.0° |
| O9 | C7 | O8 | H1 | 0.0° | 0.1° |
| O8 | C7 | C4 | H4A | 2.1° | 60.0° |
| O8 | C7 | C4 | H4B | 121.0° | 59.9° |
| H5 | C5 | C2 | H2 | 0.2° | 0.3° |
