VWT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S | doub | 1.42Å | 1.50Å | |
| S | O1 | doub | 1.42Å | 1.44Å | |
| S | O | sing | 1.52Å | 1.44Å | |
| S | C2 | sing | 1.76Å | 1.77Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | N | trip | 1.14Å | 1.14Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C | H4 | sing | 1.08Å | 1.08Å | |
| O | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S | O1 | 111.2° | 123.2° |
| O2 | S | O | 111.8° | 106.4° |
| O2 | S | C2 | 106.3° | 106.4° |
| O1 | S | O | 113.9° | 106.4° |
| O1 | S | C2 | 106.5° | 106.4° |
| O | S | C2 | 106.6° | 107.2° |
| S | O | H5 | 109.5° | 114.0° |
| S | C2 | C1 | 119.6° | 119.8° |
| S | C2 | C3 | 119.6° | 119.8° |
| C2 | C1 | C | 119.5° | 120.1° |
| C1 | C2 | C3 | 120.8° | 120.3° |
| C2 | C1 | H1 | 120.2° | 120.0° |
| C1 | C | C5 | 120.2° | 119.9° |
| C | C1 | H1 | 120.2° | 119.9° |
| C1 | C | H4 | 119.9° | 120.0° |
| C2 | C3 | C4 | 119.5° | 120.1° |
| C2 | C3 | H2 | 120.2° | 120.0° |
| C | C5 | C4 | 119.7° | 119.7° |
| C | C5 | C6 | 120.1° | 120.2° |
| C5 | C | H4 | 119.9° | 120.1° |
| C3 | C4 | C5 | 120.2° | 119.9° |
| C4 | C3 | H2 | 120.3° | 119.9° |
| C3 | C4 | H3 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.2° |
| C5 | C4 | H3 | 119.9° | 120.1° |
| C5 | C6 | N | 178.3° | 179.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S | O1 | O | 127.4° | 123.0° |
| O2 | S | O1 | C2 | 115.4° | 122.9° |
| O2 | S | O | C2 | 115.8° | 113.5° |
| O2 | S | C2 | C1 | 57.4° | 156.4° |
| O2 | S | C2 | C3 | 122.9° | 23.5° |
| O2 | S | O | H5 | 127.1° | 66.5° |
| O1 | S | O | C2 | 117.1° | 113.5° |
| O1 | S | C2 | C1 | 61.3° | 23.5° |
| O1 | S | C2 | C3 | 118.5° | 156.4° |
| O1 | S | O | H5 | 0.0° | 66.5° |
| O | S | C2 | C1 | 176.8° | 90.0° |
| O | S | C2 | C3 | 3.5° | 90.0° |
| S | C2 | C1 | C3 | 179.8° | 179.9° |
| S | C2 | C1 | C | 179.6° | 180.0° |
| S | C2 | C3 | C4 | 179.7° | 180.0° |
| S | C2 | C1 | H1 | 0.4° | 0.2° |
| S | C2 | C3 | H2 | 0.3° | 0.0° |
| C2 | S | O | H5 | 117.1° | 180.0° |
| C2 | C1 | C | H1 | 180.0° | 179.8° |
| C2 | C1 | C | C5 | 0.1° | 0.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H2 | 179.9° | 180.0° |
| C2 | C1 | C | H4 | 179.9° | 179.9° |
| C | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | C | C5 | H4 | 180.0° | 180.0° |
| C1 | C | C5 | C4 | 0.3° | 0.0° |
| C1 | C | C5 | C6 | 178.8° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C1 | H1 | 179.9° | 179.7° |
| C2 | C3 | C4 | H3 | 179.8° | 179.9° |
| C | C5 | C4 | C3 | 0.4° | 0.0° |
| C | C5 | C4 | C6 | 179.1° | 179.9° |
| C | C5 | C6 | N | 172.1° | 90.0° |
| C5 | C | C1 | H1 | 179.9° | 179.7° |
| C | C5 | C4 | H3 | 179.6° | 179.9° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 178.7° | 180.0° |
| C4 | C5 | C6 | N | 7.1° | 90.0° |
| C5 | C4 | C3 | H2 | 179.8° | 180.0° |
| C4 | C5 | C | H4 | 179.7° | 180.0° |
| C6 | C5 | C4 | H3 | 1.3° | 0.0° |
| C6 | C5 | C | H4 | 1.2° | 0.1° |
| H1 | C1 | C | H4 | 0.1° | 0.3° |
| H2 | C3 | C4 | H3 | 0.2° | 0.1° |
