W0Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S | doub | 1.42Å | 1.44Å | |
| O1 | S | doub | 1.42Å | 1.44Å | |
| S | N1 | sing | 1.66Å | 1.61Å | |
| S | C5 | sing | 1.76Å | 1.77Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.49Å | |
| O | C1 | doub | 1.22Å | 1.23Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| N | C | sing | 1.46Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S | O1 | 118.7° | 123.2° |
| O2 | S | N1 | 107.0° | 106.4° |
| O2 | S | C5 | 107.6° | 106.4° |
| O1 | S | N1 | 107.4° | 106.4° |
| O1 | S | C5 | 107.3° | 106.4° |
| N1 | S | C5 | 108.5° | 107.2° |
| S | N1 | H1 | 109.5° | 120.0° |
| S | N1 | H2 | 109.5° | 120.0° |
| S | C5 | C4 | 119.4° | 119.9° |
| S | C5 | C6 | 120.0° | 119.8° |
| C5 | C4 | C3 | 119.4° | 120.1° |
| C4 | C5 | C6 | 120.6° | 120.3° |
| C5 | C4 | H3 | 120.3° | 119.9° |
| C4 | C3 | C2 | 120.8° | 119.8° |
| C3 | C4 | H3 | 120.3° | 119.9° |
| C4 | C3 | H6 | 119.6° | 120.1° |
| C5 | C6 | C7 | 119.4° | 120.1° |
| C5 | C6 | H4 | 120.3° | 119.9° |
| C3 | C2 | C7 | 119.1° | 119.7° |
| C3 | C2 | C1 | 118.4° | 120.2° |
| C2 | C3 | H6 | 119.6° | 120.1° |
| C6 | C7 | C2 | 120.7° | 119.9° |
| C7 | C6 | H4 | 120.3° | 119.9° |
| C6 | C7 | H5 | 119.7° | 120.1° |
| C7 | C2 | C1 | 122.4° | 120.1° |
| C2 | C7 | H5 | 119.6° | 120.0° |
| C2 | C1 | O | 120.7° | 120.0° |
| C2 | C1 | N | 117.0° | 120.0° |
| O | C1 | N | 122.3° | 120.0° |
| C1 | N | C | 122.0° | 120.0° |
| C1 | N | H7 | 119.0° | 120.0° |
| C | N | H7 | 119.0° | 120.0° |
| N | C | H8 | 109.5° | 109.5° |
| N | C | H9 | 109.5° | 109.4° |
| N | C | H10 | 109.5° | 109.5° |
| H1 | N1 | H2 | 109.5° | 120.0° |
| H8 | C | H9 | 109.5° | 109.4° |
| H8 | C | H10 | 109.5° | 109.4° |
| H9 | C | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S | O1 | N1 | 121.4° | 122.9° |
| O2 | S | O1 | C5 | 122.0° | 123.0° |
| O2 | S | N1 | C5 | 115.8° | 113.5° |
| O2 | S | C5 | C4 | 8.0° | 23.5° |
| O2 | S | C5 | C6 | 171.1° | 156.5° |
| O2 | S | N1 | H1 | 180.0° | 113.5° |
| O2 | S | N1 | H2 | 60.0° | 66.8° |
| O1 | S | N1 | C5 | 115.8° | 113.6° |
| O1 | S | C5 | C4 | 136.7° | 156.5° |
| O1 | S | C5 | C6 | 42.4° | 23.6° |
| O1 | S | N1 | H1 | 51.6° | 113.6° |
| O1 | S | N1 | H2 | 68.4° | 66.1° |
| N1 | S | C5 | C4 | 107.5° | 90.0° |
| N1 | S | C5 | C6 | 73.5° | 90.0° |
| S | N1 | H1 | H2 | 120.0° | 179.7° |
| S | C5 | C4 | C6 | 179.1° | 180.0° |
| S | C5 | C4 | C3 | 177.9° | 180.0° |
| S | C5 | C6 | C7 | 178.4° | 180.0° |
| C5 | S | N1 | H1 | 64.2° | 0.0° |
| C5 | S | N1 | H2 | 175.8° | 179.7° |
| S | C5 | C4 | H3 | 2.1° | 0.3° |
| S | C5 | C6 | H4 | 1.6° | 0.1° |
| C5 | C4 | C3 | H3 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C6 | C7 | 0.6° | 0.1° |
| C4 | C5 | C6 | H4 | 179.4° | 180.0° |
| C5 | C4 | C3 | H6 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.1° | 0.1° |
| C4 | C3 | C2 | H6 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 1.6° | 0.0° |
| C4 | C3 | C2 | C1 | 173.9° | 180.0° |
| C5 | C6 | C7 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 1.0° | 0.1° |
| C6 | C5 | C4 | H3 | 178.9° | 179.7° |
| C5 | C6 | C7 | H5 | 179.0° | 179.9° |
| C3 | C2 | C7 | C6 | 2.1° | 0.0° |
| C3 | C2 | C7 | C1 | 175.4° | 180.0° |
| C3 | C2 | C1 | O | 21.3° | 0.0° |
| C3 | C2 | C1 | N | 158.3° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.7° |
| C3 | C2 | C7 | H5 | 177.9° | 180.0° |
| C6 | C7 | C2 | H5 | 180.0° | 180.0° |
| C6 | C7 | C2 | C1 | 173.2° | 180.0° |
| C7 | C2 | C1 | O | 154.1° | 180.0° |
| C7 | C2 | C1 | N | 26.2° | 0.0° |
| C2 | C7 | C6 | H4 | 179.0° | 180.0° |
| C7 | C2 | C3 | H6 | 178.3° | 179.9° |
| C2 | C1 | O | N | 179.6° | 180.0° |
| C2 | C1 | N | C | 176.9° | 180.0° |
| C1 | C2 | C7 | H5 | 6.7° | 0.0° |
| C1 | C2 | C3 | H6 | 6.1° | 0.1° |
| C2 | C1 | N | H7 | 3.1° | 0.0° |
| O | C1 | N | C | 2.8° | 0.0° |
| O | C1 | N | H7 | 177.2° | 180.0° |
| C1 | N | C | H7 | 180.0° | 180.0° |
| C1 | N | C | H8 | 180.0° | 60.0° |
| C1 | N | C | H9 | 60.0° | 60.0° |
| C1 | N | C | H10 | 60.0° | 180.0° |
| N | C | H8 | H9 | 120.0° | 120.0° |
| N | C | H8 | H10 | 120.0° | 120.0° |
| N | C | H9 | H10 | 120.0° | 120.0° |
| H3 | C4 | C3 | H6 | 0.1° | 0.3° |
| H4 | C6 | C7 | H5 | 1.0° | 0.1° |
| H7 | N | C | H8 | 0.0° | 120.0° |
| H7 | N | C | H9 | 120.0° | 120.0° |
| H7 | N | C | H10 | 120.0° | 0.0° |
| H8 | C | H9 | H10 | 120.0° | 120.0° |
