VWI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | N | doub | 1.22Å | 1.22Å | |
| O | N | doub | 1.22Å | 1.22Å | |
| N | C5 | sing | 1.48Å | 1.47Å | |
| C5 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | S | sing | 1.76Å | 1.77Å | |
| O4 | S | doub | 1.42Å | 1.46Å | |
| S | O3 | doub | 1.42Å | 1.45Å | |
| S | O2 | sing | 1.52Å | 1.44Å | |
| 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 | |
| O2 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | N | O | 123.6° | 120.0° |
| O1 | N | C5 | 118.2° | 120.0° |
| O | N | C5 | 118.2° | 120.0° |
| N | C5 | C | 118.9° | 120.0° |
| N | C5 | C4 | 118.8° | 120.0° |
| C | C5 | C4 | 122.3° | 120.0° |
| C5 | C | C1 | 118.8° | 120.0° |
| C5 | C | H4 | 120.6° | 120.0° |
| C5 | C4 | C3 | 118.8° | 120.0° |
| C5 | C4 | H3 | 120.6° | 120.0° |
| C | C1 | C2 | 119.6° | 120.0° |
| C | C1 | H1 | 120.2° | 120.0° |
| C1 | C | H4 | 120.6° | 120.0° |
| C4 | C3 | C2 | 119.6° | 120.0° |
| C4 | C3 | H2 | 120.2° | 120.0° |
| C3 | C4 | H3 | 120.6° | 120.0° |
| C1 | C2 | C3 | 120.9° | 119.9° |
| C1 | C2 | S | 119.5° | 120.0° |
| C2 | C1 | H1 | 120.2° | 120.0° |
| C3 | C2 | S | 119.5° | 120.0° |
| C2 | C3 | H2 | 120.2° | 120.0° |
| C2 | S | O4 | 106.3° | 106.4° |
| C2 | S | O3 | 106.6° | 106.4° |
| C2 | S | O2 | 106.6° | 107.2° |
| O4 | S | O3 | 111.4° | 123.2° |
| O4 | S | O2 | 111.3° | 106.4° |
| O3 | S | O2 | 114.2° | 106.4° |
| S | O2 | H5 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | N | O | C5 | 179.7° | 179.9° |
| O1 | N | C5 | C | 0.3° | 0.1° |
| O1 | N | C5 | C4 | 179.2° | 179.4° |
| O | N | C5 | C | 179.9° | 180.0° |
| O | N | C5 | C4 | 0.5° | 0.5° |
| N | C5 | C | C4 | 179.5° | 179.5° |
| N | C5 | C | C1 | 179.1° | 180.0° |
| N | C5 | C4 | C3 | 179.1° | 179.7° |
| N | C5 | C4 | H3 | 0.9° | 0.3° |
| N | C5 | C | H4 | 0.9° | 0.5° |
| C5 | C | C1 | H4 | 180.0° | 179.5° |
| C | C5 | C4 | C3 | 0.4° | 0.2° |
| C5 | C | C1 | C2 | 0.0° | 0.5° |
| C5 | C | C1 | H1 | 180.0° | 179.7° |
| C | C5 | C4 | H3 | 179.6° | 179.8° |
| C4 | C5 | C | C1 | 0.4° | 0.5° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C5 | C4 | C3 | H2 | 179.9° | 180.0° |
| C4 | C5 | C | H4 | 179.6° | 180.0° |
| C | C1 | C2 | H1 | 180.0° | 179.8° |
| C | C1 | C2 | C3 | 0.5° | 0.2° |
| C | C1 | C2 | S | 178.6° | 179.7° |
| C4 | C3 | C2 | C1 | 0.5° | 0.0° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | S | 178.6° | 180.0° |
| C1 | C2 | C3 | S | 179.1° | 180.0° |
| C1 | C2 | S | O4 | 38.2° | 23.6° |
| C1 | C2 | S | O3 | 157.1° | 156.5° |
| C1 | C2 | S | O2 | 80.6° | 90.0° |
| C1 | C2 | C3 | H2 | 179.5° | 180.0° |
| C2 | C1 | C | H4 | 180.0° | 180.0° |
| C3 | C2 | S | O4 | 142.7° | 156.4° |
| C3 | C2 | S | O3 | 23.8° | 23.5° |
| C3 | C2 | S | O2 | 98.5° | 90.0° |
| C3 | C2 | C1 | H1 | 179.5° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | S | O4 | O3 | 115.7° | 122.9° |
| C2 | S | O4 | O2 | 115.6° | 114.1° |
| C2 | S | O3 | O2 | 117.4° | 114.1° |
| S | C2 | C1 | H1 | 1.4° | 0.0° |
| S | C2 | C3 | H2 | 1.4° | 0.1° |
| C2 | S | O2 | H5 | 115.4° | 180.0° |
| O4 | S | O3 | O2 | 127.1° | 123.0° |
| O4 | S | O2 | H5 | 0.0° | 66.4° |
| O3 | S | O2 | H5 | 127.2° | 66.5° |
| H1 | C1 | C | H4 | 0.0° | 0.2° |
| H2 | C3 | C4 | H3 | 0.1° | 0.0° |
