WVK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| N1 | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | N | sing | 1.39Å | 1.38Å | |
| C7 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| N | C | sing | 1.35Å | 1.35Å | |
| C | C1 | sing | 1.41Å | 1.48Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| C1 | C2 | doub | 1.36Å | 1.33Å | |
| S | C3 | sing | 1.76Å | 1.72Å | Aromatic |
| S | C6 | sing | 1.71Å | 1.71Å | Aromatic |
| C2 | C3 | sing | 1.42Å | 1.44Å | |
| C3 | C4 | doub | 1.37Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.34Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.37Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C8 | C9 | 123.3° | 119.2° |
| C8 | N1 | C7 | 115.4° | 120.7° |
| N1 | C8 | H6 | 118.3° | 120.4° |
| C8 | C9 | C10 | 116.0° | 118.6° |
| C9 | C8 | H6 | 118.3° | 120.4° |
| C8 | C9 | H7 | 122.0° | 120.7° |
| N1 | C7 | N | 116.2° | 119.2° |
| N1 | C7 | N2 | 126.4° | 121.6° |
| C9 | C10 | N2 | 123.3° | 119.2° |
| C10 | C9 | H7 | 122.0° | 120.7° |
| C9 | C10 | H9 | 118.4° | 120.4° |
| N | C7 | N2 | 117.3° | 119.2° |
| C7 | N | C | 129.8° | 120.0° |
| C7 | N | H8 | 115.1° | 120.0° |
| C7 | N2 | C10 | 115.5° | 120.8° |
| N2 | C10 | H9 | 118.4° | 120.4° |
| N | C | C1 | 114.3° | 120.0° |
| N | C | O | 123.0° | 119.9° |
| C | N | H8 | 115.1° | 120.0° |
| C1 | C | O | 122.7° | 120.1° |
| C | C1 | C2 | 124.3° | 120.0° |
| C | C1 | H1 | 117.9° | 120.1° |
| C1 | C2 | C3 | 133.3° | 120.0° |
| C2 | C1 | H1 | 117.8° | 119.9° |
| C1 | C2 | H2 | 113.3° | 120.0° |
| C3 | S | C6 | 91.8° | 91.6° |
| S | C3 | C2 | 123.0° | 125.5° |
| S | C3 | C4 | 111.0° | 109.1° |
| S | C6 | C5 | 112.5° | 111.0° |
| S | C6 | H5 | 123.7° | 124.5° |
| C2 | C3 | C4 | 126.0° | 125.4° |
| C3 | C2 | H2 | 113.3° | 120.0° |
| C3 | C4 | C5 | 112.1° | 113.2° |
| C3 | C4 | H3 | 123.9° | 123.4° |
| C6 | C5 | C4 | 112.6° | 115.1° |
| C6 | C5 | H4 | 123.7° | 122.4° |
| C5 | C6 | H5 | 123.7° | 124.5° |
| C5 | C4 | H3 | 124.0° | 123.4° |
| C4 | C5 | H4 | 123.7° | 122.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C8 | C9 | H6 | 180.0° | 179.9° |
| N1 | C8 | C9 | C10 | 0.4° | 0.0° |
| C8 | N1 | C7 | N | 175.0° | 180.0° |
| C8 | N1 | C7 | N2 | 1.3° | 0.0° |
| N1 | C8 | C9 | H7 | 179.6° | 180.0° |
| C9 | C8 | N1 | C7 | 0.3° | 0.0° |
| C8 | C9 | C10 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | N2 | 0.3° | 0.1° |
| C8 | C9 | C10 | H9 | 179.7° | 180.0° |
| N1 | C7 | N | N2 | 176.7° | 180.0° |
| N1 | C7 | N2 | C10 | 1.4° | 0.1° |
| N1 | C7 | N | C | 178.4° | 180.0° |
| C7 | N1 | C8 | H6 | 179.7° | 179.9° |
| N1 | C7 | N | H8 | 1.6° | 0.0° |
| C9 | C10 | N2 | C7 | 0.6° | 0.1° |
| C9 | C10 | N2 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | H6 | 179.6° | 180.0° |
| N | C7 | N2 | C10 | 174.8° | 179.9° |
| C7 | N | C | H8 | 180.0° | 180.0° |
| C7 | N | C | C1 | 178.1° | 180.0° |
| C7 | N | C | O | 2.9° | 0.0° |
| N2 | C7 | N | C | 1.7° | 0.0° |
| N2 | C7 | N | H8 | 178.3° | 180.0° |
| C7 | N2 | C10 | H9 | 179.4° | 180.0° |
| N2 | C10 | C9 | H7 | 179.7° | 180.0° |
| N | C | C1 | O | 179.0° | 180.0° |
| N | C | C1 | C2 | 179.4° | 180.0° |
| N | C | C1 | H1 | 0.5° | 0.0° |
| C | C1 | C2 | H1 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 178.9° | 180.0° |
| C | C1 | C2 | H2 | 1.1° | 0.0° |
| C1 | C | N | H8 | 1.9° | 0.0° |
| O | C | C1 | C2 | 1.6° | 0.0° |
| O | C | C1 | H1 | 178.4° | 180.0° |
| O | C | N | H8 | 177.1° | 180.0° |
| C1 | C2 | C3 | S | 2.5° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 179.7° | 180.0° |
| S | C3 | C2 | C4 | 177.1° | 180.0° |
| C3 | S | C6 | C5 | 0.2° | 0.0° |
| S | C3 | C4 | C5 | 0.5° | 0.0° |
| S | C3 | C2 | H2 | 177.5° | 180.0° |
| S | C3 | C4 | H3 | 179.5° | 179.9° |
| C3 | S | C6 | H5 | 179.8° | 179.9° |
| C6 | S | C3 | C2 | 177.1° | 180.0° |
| C6 | S | C3 | C4 | 0.4° | 0.0° |
| S | C6 | C5 | H5 | 180.0° | 179.9° |
| S | C6 | C5 | C4 | 0.0° | 0.0° |
| S | C6 | C5 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 177.0° | 180.0° |
| C3 | C2 | C1 | H1 | 1.1° | 0.0° |
| C2 | C3 | C4 | H3 | 3.1° | 0.1° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | H2 | 0.4° | 0.0° |
| C3 | C4 | C5 | H4 | 179.7° | 180.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | H3 | 179.6° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| H1 | C1 | C2 | H2 | 178.9° | 180.0° |
| H3 | C4 | C5 | H4 | 0.3° | 0.1° |
| H4 | C5 | C6 | H5 | 0.0° | 0.1° |
| H6 | C8 | C9 | H7 | 0.4° | 0.1° |
| H7 | C9 | C10 | H9 | 0.3° | 0.0° |
