VXK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C6 | sing | 1.89Å | 1.82Å | |
| C6 | C5 | doub | 1.33Å | 1.39Å | Aromatic |
| C6 | S | sing | 1.76Å | 1.69Å | Aromatic |
| C5 | C4 | sing | 1.44Å | 1.41Å | Aromatic |
| S | C7 | sing | 1.70Å | 1.70Å | Aromatic |
| C4 | C7 | doub | 1.36Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.47Å | 1.44Å | |
| N | C3 | sing | 1.35Å | 1.38Å | |
| N | C2 | sing | 1.46Å | 1.47Å | |
| C3 | O | doub | 1.22Å | 1.18Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| 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) |
| BR | C6 | C5 | 118.7° | 124.7° |
| BR | C6 | S | 122.2° | 124.7° |
| C5 | C6 | S | 119.1° | 110.6° |
| C6 | C5 | C4 | 106.9° | 113.1° |
| C6 | C5 | H4 | 126.6° | 123.5° |
| C6 | S | C7 | 87.0° | 92.5° |
| C5 | C4 | C7 | 111.9° | 113.1° |
| C5 | C4 | C3 | 121.3° | 123.5° |
| C4 | C5 | H4 | 126.6° | 123.5° |
| S | C7 | C4 | 115.1° | 110.9° |
| S | C7 | H1 | 122.5° | 124.6° |
| C7 | C4 | C3 | 126.4° | 123.4° |
| C4 | C7 | H1 | 122.4° | 124.5° |
| C4 | C3 | N | 118.0° | 120.0° |
| C4 | C3 | O | 120.2° | 120.0° |
| C3 | N | C2 | 121.1° | 120.0° |
| N | C3 | O | 121.7° | 120.0° |
| C3 | N | H7 | 119.4° | 120.0° |
| N | C2 | C1 | 111.0° | 109.5° |
| N | C2 | H5 | 109.1° | 109.5° |
| N | C2 | H6 | 109.1° | 109.5° |
| C2 | N | H7 | 119.5° | 120.0° |
| C2 | C1 | C | 112.1° | 109.5° |
| C2 | C1 | H2 | 108.8° | 109.5° |
| C2 | C1 | H3 | 108.8° | 109.5° |
| C1 | C2 | H5 | 109.1° | 109.4° |
| C1 | C2 | H6 | 109.1° | 109.5° |
| C | C1 | H2 | 108.8° | 109.4° |
| C | C1 | H3 | 108.8° | 109.4° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.4° | 109.4° |
| C1 | C | H10 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.4° |
| H8 | C | H9 | 109.5° | 109.5° |
| H8 | C | H10 | 109.4° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C6 | C5 | S | 177.4° | 179.9° |
| BR | C6 | C5 | C4 | 177.6° | 180.0° |
| BR | C6 | S | C7 | 177.0° | 179.9° |
| BR | C6 | C5 | H4 | 2.4° | 0.1° |
| C6 | C5 | C4 | H4 | 180.0° | 179.8° |
| C5 | C6 | S | C7 | 0.3° | 0.2° |
| C6 | C5 | C4 | C7 | 0.8° | 0.1° |
| C6 | C5 | C4 | C3 | 172.3° | 179.9° |
| S | C6 | C5 | C4 | 0.2° | 0.1° |
| C6 | S | C7 | C4 | 0.8° | 0.2° |
| C6 | S | C7 | H1 | 179.2° | 180.0° |
| S | C6 | C5 | H4 | 179.8° | 179.8° |
| C5 | C4 | C7 | S | 1.1° | 0.2° |
| C5 | C4 | C7 | C3 | 172.6° | 180.0° |
| C5 | C4 | C3 | N | 0.6° | 180.0° |
| C5 | C4 | C3 | O | 178.5° | 0.1° |
| C5 | C4 | C7 | H1 | 178.9° | 180.0° |
| S | C7 | C4 | H1 | 180.0° | 179.8° |
| S | C7 | C4 | C3 | 171.5° | 179.8° |
| C7 | C4 | C3 | N | 171.3° | 0.0° |
| C7 | C4 | C3 | O | 6.6° | 179.9° |
| C7 | C4 | C5 | H4 | 179.2° | 179.9° |
| C4 | C3 | N | O | 177.9° | 179.9° |
| C4 | C3 | N | C2 | 179.1° | 180.0° |
| C3 | C4 | C7 | H1 | 8.5° | 0.0° |
| C3 | C4 | C5 | H4 | 7.7° | 0.1° |
| C4 | C3 | N | H7 | 0.9° | 0.0° |
| C3 | N | C2 | H7 | 180.0° | 180.0° |
| C3 | N | C2 | C1 | 82.3° | 180.0° |
| C3 | N | C2 | H5 | 157.5° | 60.0° |
| C3 | N | C2 | H6 | 37.9° | 59.9° |
| C2 | N | C3 | O | 1.3° | 0.0° |
| N | C2 | C1 | H5 | 120.2° | 120.0° |
| N | C2 | C1 | H6 | 120.2° | 120.1° |
| N | C2 | C1 | C | 176.5° | 180.0° |
| N | C2 | C1 | H2 | 63.1° | 60.0° |
| N | C2 | C1 | H3 | 56.1° | 60.1° |
| N | C2 | H5 | H6 | 119.3° | 120.0° |
| O | C3 | N | H7 | 178.7° | 180.0° |
| C2 | C1 | C | H2 | 120.4° | 120.0° |
| C2 | C1 | C | H3 | 120.4° | 120.0° |
| C2 | C1 | H2 | H3 | 118.8° | 120.0° |
| C1 | C2 | H5 | H6 | 119.3° | 120.0° |
| C1 | C2 | N | H7 | 97.7° | 0.0° |
| C2 | C1 | C | H8 | 180.0° | 180.0° |
| C2 | C1 | C | H9 | 60.0° | 60.0° |
| C2 | C1 | C | H10 | 60.0° | 60.0° |
| C | C1 | H2 | H3 | 118.8° | 120.0° |
| C | C1 | C2 | H5 | 56.3° | 60.0° |
| C | C1 | C2 | H6 | 63.3° | 60.0° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| H2 | C1 | C2 | H5 | 176.7° | 60.0° |
| H2 | C1 | C2 | H6 | 57.1° | 179.9° |
| H2 | C1 | C | H8 | 59.5° | 60.0° |
| H2 | C1 | C | H9 | 179.6° | 180.0° |
| H2 | C1 | C | H10 | 60.4° | 60.0° |
| H3 | C1 | C2 | H5 | 64.1° | 180.0° |
| H3 | C1 | C2 | H6 | 176.3° | 60.0° |
| H3 | C1 | C | H8 | 59.6° | 60.0° |
| H3 | C1 | C | H9 | 60.4° | 60.0° |
| H3 | C1 | C | H10 | 179.6° | 180.0° |
| H5 | C2 | N | H7 | 22.5° | 120.0° |
| H6 | C2 | N | H7 | 142.1° | 120.0° |
| H8 | C | H9 | H10 | 120.0° | 120.0° |
