W1Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | N2 | sing | 1.40Å | 1.43Å | |
| N1 | N2 | sing | 1.40Å | 1.37Å | Aromatic |
| N1 | C3 | doub | 1.31Å | 1.32Å | Aromatic |
| N2 | C4 | sing | 1.35Å | 1.35Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C2 | doub | 1.35Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| N | C | sing | 1.47Å | 1.47Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 1.01Å | 1.00Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 120.2° | 120.1° |
| C9 | C8 | C7 | 119.9° | 120.2° |
| C9 | C8 | H4 | 120.1° | 120.0° |
| C8 | C9 | H14 | 119.9° | 119.9° |
| C9 | C10 | C5 | 119.8° | 119.9° |
| C9 | C10 | H5 | 120.1° | 120.0° |
| C10 | C9 | H14 | 119.9° | 120.0° |
| C8 | C7 | C6 | 120.5° | 120.1° |
| C8 | C7 | H3 | 119.8° | 120.0° |
| C7 | C8 | H4 | 120.1° | 119.9° |
| C10 | C5 | C6 | 120.2° | 119.9° |
| C10 | C5 | N2 | 119.7° | 120.0° |
| C5 | C10 | H5 | 120.1° | 120.1° |
| C7 | C6 | C5 | 119.4° | 119.9° |
| C7 | C6 | H2 | 120.3° | 120.0° |
| C6 | C7 | H3 | 119.8° | 119.9° |
| C6 | C5 | N2 | 119.7° | 120.1° |
| C5 | C6 | H2 | 120.3° | 120.0° |
| C5 | N2 | N1 | 120.2° | 126.0° |
| C5 | N2 | C4 | 127.8° | 126.0° |
| N2 | N1 | C3 | 104.2° | 108.2° |
| N1 | N2 | C4 | 112.0° | 107.9° |
| N1 | C3 | C2 | 112.3° | 108.3° |
| N1 | C3 | H13 | 123.8° | 125.9° |
| N2 | C4 | C2 | 107.5° | 107.7° |
| N2 | C4 | H1 | 126.3° | 126.2° |
| C3 | C2 | C4 | 104.1° | 107.9° |
| C3 | C2 | C1 | 130.3° | 126.0° |
| C2 | C3 | H13 | 123.8° | 125.9° |
| C4 | C2 | C1 | 125.6° | 126.1° |
| C2 | C4 | H1 | 126.3° | 126.1° |
| C2 | C1 | N | 110.0° | 109.5° |
| C2 | C1 | H11 | 109.3° | 109.4° |
| C2 | C1 | H12 | 109.3° | 109.5° |
| C1 | N | C | 111.5° | 111.0° |
| C1 | N | H9 | 109.0° | 111.1° |
| N | C1 | H11 | 109.3° | 109.5° |
| N | C1 | H12 | 109.3° | 109.5° |
| N | C | H6 | 109.5° | 109.5° |
| N | C | H7 | 109.5° | 109.5° |
| N | C | H8 | 109.5° | 109.5° |
| C | N | H9 | 108.9° | 110.9° |
| H6 | C | H7 | 109.4° | 109.4° |
| H6 | C | H8 | 109.5° | 109.5° |
| H7 | C | H8 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H14 | 180.0° | 179.7° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C8 | C9 | C10 | C5 | 1.6° | 0.6° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C8 | C9 | C10 | H5 | 178.4° | 180.0° |
| C10 | C9 | C8 | C7 | 0.7° | 0.3° |
| C9 | C10 | C5 | H5 | 180.0° | 179.4° |
| C9 | C10 | C5 | C6 | 1.9° | 0.6° |
| C9 | C10 | C5 | N2 | 171.1° | 179.7° |
| C10 | C9 | C8 | H4 | 179.3° | 179.7° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.3° | 0.0° |
| C8 | C7 | C6 | H2 | 179.7° | 180.0° |
| C7 | C8 | C9 | H14 | 179.3° | 179.9° |
| C10 | C5 | C6 | C7 | 1.3° | 0.3° |
| C10 | C5 | C6 | N2 | 173.0° | 179.7° |
| C10 | C5 | N2 | N1 | 3.8° | 179.8° |
| C10 | C5 | N2 | C4 | 177.0° | 0.3° |
| C10 | C5 | C6 | H2 | 178.7° | 179.7° |
| C5 | C10 | C9 | H14 | 178.4° | 179.8° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | N2 | 171.7° | 180.0° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C6 | C5 | N2 | N1 | 169.2° | 0.1° |
| C6 | C5 | N2 | C4 | 10.0° | 180.0° |
| C5 | C6 | C7 | H3 | 179.7° | 180.0° |
| C6 | C5 | C10 | H5 | 178.1° | 180.0° |
| C5 | N2 | N1 | C4 | 179.4° | 179.9° |
| C5 | N2 | N1 | C3 | 179.5° | 179.9° |
| C5 | N2 | C4 | C2 | 179.2° | 179.9° |
| C5 | N2 | C4 | H1 | 0.8° | 0.1° |
| N2 | C5 | C6 | H2 | 8.3° | 0.0° |
| N2 | C5 | C10 | H5 | 9.0° | 0.3° |
| N2 | N1 | C3 | C2 | 0.3° | 0.0° |
| N1 | N2 | C4 | C2 | 0.1° | 0.0° |
| N1 | N2 | C4 | H1 | 179.9° | 180.0° |
| N2 | N1 | C3 | H13 | 179.7° | 180.0° |
| C3 | N1 | N2 | C4 | 0.1° | 0.0° |
| N1 | C3 | C2 | H13 | 180.0° | 180.0° |
| N1 | C3 | C2 | C4 | 0.4° | 0.0° |
| N1 | C3 | C2 | C1 | 178.4° | 180.0° |
| N2 | C4 | C2 | C3 | 0.3° | 0.0° |
| N2 | C4 | C2 | H1 | 180.0° | 180.0° |
| N2 | C4 | C2 | C1 | 178.6° | 180.0° |
| C3 | C2 | C4 | C1 | 178.8° | 180.0° |
| C3 | C2 | C1 | N | 101.1° | 90.0° |
| C3 | C2 | C4 | H1 | 179.7° | 180.0° |
| C3 | C2 | C1 | H11 | 138.8° | 150.0° |
| C3 | C2 | C1 | H12 | 19.0° | 30.1° |
| C4 | C2 | C1 | N | 80.3° | 89.9° |
| C4 | C2 | C1 | H11 | 39.7° | 30.0° |
| C4 | C2 | C1 | H12 | 159.6° | 150.0° |
| C4 | C2 | C3 | H13 | 179.7° | 180.0° |
| C2 | C1 | N | H11 | 120.1° | 119.9° |
| C2 | C1 | N | H12 | 120.1° | 120.0° |
| C2 | C1 | N | C | 177.0° | 179.9° |
| C1 | C2 | C4 | H1 | 1.4° | 0.0° |
| C2 | C1 | N | H9 | 56.7° | 56.0° |
| C2 | C1 | H11 | H12 | 119.7° | 120.0° |
| C1 | C2 | C3 | H13 | 1.6° | 0.0° |
| C1 | N | C | H9 | 120.3° | 124.0° |
| C1 | N | C | H6 | 180.0° | 60.0° |
| C1 | N | C | H7 | 60.0° | 60.0° |
| C1 | N | C | H8 | 60.0° | 180.0° |
| N | C1 | H11 | H12 | 119.7° | 120.1° |
| N | C | H6 | H7 | 120.0° | 120.0° |
| N | C | H6 | H8 | 120.0° | 120.0° |
| N | C | H7 | H8 | 120.0° | 120.1° |
| C | N | C1 | H11 | 62.9° | 60.0° |
| C | N | C1 | H12 | 56.9° | 60.0° |
| H2 | C6 | C7 | H3 | 0.3° | 0.0° |
| H3 | C7 | C8 | H4 | 0.0° | 0.1° |
| H4 | C8 | C9 | H14 | 0.7° | 0.0° |
| H5 | C10 | C9 | H14 | 1.6° | 0.4° |
| H6 | C | H7 | H8 | 120.0° | 120.0° |
| H6 | C | N | H9 | 59.7° | 176.1° |
| H7 | C | N | H9 | 179.7° | 64.0° |
| H8 | C | N | H9 | 60.3° | 56.1° |
| H9 | N | C1 | H11 | 176.8° | 63.9° |
| H9 | N | C1 | H12 | 63.4° | 176.1° |
