WOY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N | doub | 1.33Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C | C5 | sing | 1.54Å | 1.53Å | |
| N | C3 | sing | 1.32Å | 1.33Å | Aromatic |
| C1 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | N2 | sing | 1.47Å | 1.46Å | |
| C3 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | N2 | sing | 1.38Å | 1.37Å | |
| C4 | N1 | sing | 1.34Å | 1.35Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C2 | C1 | 124.7° | 119.0° |
| C2 | N | C3 | 115.3° | 120.6° |
| N | C2 | H7 | 117.6° | 120.5° |
| C2 | C1 | C | 137.0° | 132.2° |
| C2 | C1 | C4 | 113.0° | 119.2° |
| C1 | C2 | H7 | 117.7° | 120.4° |
| C1 | C | C5 | 103.6° | 104.3° |
| C | C1 | C4 | 110.0° | 108.5° |
| C1 | C | H3 | 110.9° | 110.5° |
| C1 | C | H4 | 111.0° | 110.4° |
| C | C5 | N2 | 102.5° | 105.2° |
| C | C5 | H1 | 111.2° | 110.3° |
| C | C5 | H2 | 111.2° | 110.4° |
| C5 | C | H3 | 110.9° | 110.5° |
| C5 | C | H4 | 110.9° | 110.4° |
| N | C3 | N1 | 127.9° | 122.1° |
| N | C3 | H6 | 116.0° | 118.9° |
| C1 | C4 | N2 | 107.4° | 111.8° |
| C1 | C4 | N1 | 125.8° | 118.1° |
| C5 | N2 | C4 | 113.3° | 110.3° |
| N2 | C5 | H1 | 111.2° | 110.3° |
| N2 | C5 | H2 | 111.2° | 110.3° |
| C5 | N2 | H5 | 108.5° | 124.8° |
| C3 | N1 | C4 | 113.3° | 120.9° |
| N1 | C3 | H6 | 116.1° | 119.0° |
| N2 | C4 | N1 | 126.8° | 130.1° |
| C4 | N2 | H5 | 108.5° | 124.9° |
| H1 | C5 | H2 | 109.4° | 110.3° |
| H3 | C | H4 | 109.4° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C2 | C1 | H7 | 180.0° | 179.8° |
| N | C2 | C1 | C | 179.5° | 180.0° |
| N | C2 | C1 | C4 | 0.5° | 0.1° |
| C2 | N | C3 | N1 | 1.7° | 0.1° |
| C2 | N | C3 | H6 | 178.2° | 180.0° |
| C2 | C1 | C | C4 | 179.0° | 179.9° |
| C2 | C1 | C | C5 | 169.6° | 179.9° |
| C1 | C2 | N | C3 | 0.1° | 0.1° |
| C2 | C1 | C4 | N2 | 179.2° | 180.0° |
| C2 | C1 | C4 | N1 | 0.7° | 0.0° |
| C2 | C1 | C | H3 | 71.4° | 61.2° |
| C2 | C1 | C | H4 | 50.5° | 61.4° |
| C1 | C | C5 | H3 | 119.1° | 118.7° |
| C1 | C | C5 | H4 | 119.1° | 118.7° |
| C1 | C | C5 | N2 | 15.8° | 0.0° |
| C | C1 | C4 | N2 | 1.5° | 0.0° |
| C | C1 | C4 | N1 | 178.6° | 180.0° |
| C1 | C | C5 | H1 | 134.7° | 118.9° |
| C1 | C | C5 | H2 | 103.1° | 119.0° |
| C1 | C | H3 | H4 | 122.8° | 122.5° |
| C | C1 | C2 | H7 | 0.5° | 0.1° |
| C5 | C | C1 | C4 | 9.4° | 0.0° |
| C | C5 | N2 | H1 | 118.9° | 118.9° |
| C | C5 | N2 | H2 | 118.9° | 119.0° |
| C | C5 | N2 | C4 | 18.5° | 0.0° |
| C | C5 | H1 | H2 | 123.2° | 122.2° |
| C5 | C | H3 | H4 | 122.7° | 122.6° |
| C | C5 | N2 | H5 | 102.0° | 180.0° |
| N | C3 | N1 | H6 | 180.0° | 179.9° |
| N | C3 | N1 | C4 | 2.7° | 0.0° |
| C3 | N | C2 | H7 | 180.0° | 179.9° |
| C1 | C4 | N2 | C5 | 13.1° | 0.0° |
| C1 | C4 | N1 | C3 | 2.1° | 0.0° |
| C1 | C4 | N2 | N1 | 179.9° | 180.0° |
| C4 | C1 | C | H3 | 109.6° | 118.7° |
| C4 | C1 | C | H4 | 128.5° | 118.7° |
| C1 | C4 | N2 | H5 | 107.4° | 180.0° |
| C4 | C1 | C2 | H7 | 179.5° | 179.9° |
| C5 | N2 | C4 | H5 | 120.6° | 180.0° |
| C5 | N2 | C4 | N1 | 167.0° | 180.0° |
| N2 | C5 | H1 | H2 | 123.2° | 122.1° |
| N2 | C5 | C | H3 | 103.3° | 118.7° |
| N2 | C5 | C | H4 | 134.9° | 118.7° |
| C3 | N1 | C4 | N2 | 177.7° | 180.0° |
| C4 | N2 | C5 | H1 | 137.4° | 118.9° |
| C4 | N2 | C5 | H2 | 100.4° | 119.0° |
| N1 | C4 | N2 | H5 | 72.4° | 0.0° |
| C4 | N1 | C3 | H6 | 177.3° | 179.9° |
| H1 | C5 | C | H3 | 15.6° | 122.4° |
| H1 | C5 | C | H4 | 106.2° | 0.2° |
| H1 | C5 | N2 | H5 | 16.9° | 61.1° |
| H2 | C5 | C | H3 | 137.8° | 0.3° |
| H2 | C5 | C | H4 | 16.0° | 122.4° |
| H2 | C5 | N2 | H5 | 139.1° | 61.0° |
