VW4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| N1 | S1 | sing | 1.66Å | 1.61Å | |
| S1 | O1 | doub | 1.42Å | 1.43Å | |
| S1 | C3 | sing | 1.81Å | 1.78Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S1 | N1 | 106.4° | 104.2° |
| O2 | S1 | O1 | 119.8° | 121.0° |
| O2 | S1 | C3 | 105.0° | 110.6° |
| N1 | S1 | O1 | 108.4° | 104.3° |
| N1 | S1 | C3 | 106.4° | 104.4° |
| S1 | N1 | H8 | 109.5° | 120.0° |
| S1 | N1 | H7 | 109.5° | 120.0° |
| O1 | S1 | C3 | 110.1° | 110.6° |
| S1 | C3 | C2 | 114.0° | 109.5° |
| S1 | C3 | H6 | 108.4° | 109.5° |
| S1 | C3 | H5 | 108.3° | 109.5° |
| C3 | C2 | C1 | 112.1° | 109.4° |
| C3 | C2 | C4 | 110.9° | 109.4° |
| C3 | C2 | H4 | 107.1° | 109.5° |
| C2 | C3 | H6 | 108.3° | 109.5° |
| C2 | C3 | H5 | 108.4° | 109.5° |
| C1 | C2 | C4 | 111.6° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C1 | C2 | H4 | 107.3° | 109.5° |
| C2 | C4 | C9 | 120.5° | 120.0° |
| C2 | C4 | C5 | 120.9° | 120.0° |
| C4 | C2 | H4 | 107.5° | 109.5° |
| C9 | C4 | C5 | 118.4° | 120.0° |
| C4 | C9 | C8 | 120.7° | 120.0° |
| C4 | C9 | H13 | 119.6° | 120.0° |
| C4 | C5 | C6 | 120.4° | 120.0° |
| C4 | C5 | H9 | 119.8° | 120.1° |
| C9 | C8 | C7 | 120.1° | 120.0° |
| C9 | C8 | H12 | 120.0° | 120.0° |
| C8 | C9 | H13 | 119.6° | 120.0° |
| C8 | C7 | C6 | 119.9° | 120.0° |
| C8 | C7 | H11 | 120.0° | 120.0° |
| C7 | C8 | H12 | 120.0° | 120.1° |
| C5 | C6 | C7 | 120.4° | 120.0° |
| C6 | C5 | H9 | 119.8° | 120.0° |
| C5 | C6 | H10 | 119.8° | 120.0° |
| C7 | C6 | H10 | 119.8° | 120.0° |
| C6 | C7 | H11 | 120.0° | 120.0° |
| H8 | N1 | H7 | 109.5° | 120.1° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.4° | 109.4° |
| H2 | C1 | H1 | 109.5° | 109.4° |
| H6 | C3 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S1 | N1 | O1 | 130.1° | 127.8° |
| O2 | S1 | N1 | C3 | 111.6° | 116.1° |
| O2 | S1 | O1 | C3 | 121.8° | 131.5° |
| O2 | S1 | C3 | C2 | 60.7° | 68.4° |
| O2 | S1 | N1 | H8 | 180.0° | 123.9° |
| O2 | S1 | N1 | H7 | 60.0° | 56.4° |
| O2 | S1 | C3 | H6 | 60.0° | 171.6° |
| O2 | S1 | C3 | H5 | 178.7° | 51.6° |
| N1 | S1 | O1 | C3 | 116.0° | 111.7° |
| N1 | S1 | C3 | C2 | 173.2° | 180.0° |
| S1 | N1 | H8 | H7 | 120.0° | 179.7° |
| N1 | S1 | C3 | H6 | 52.5° | 60.0° |
| N1 | S1 | C3 | H5 | 66.2° | 60.0° |
| O1 | S1 | C3 | C2 | 69.6° | 68.4° |
| O1 | S1 | N1 | H8 | 49.9° | 3.9° |
| O1 | S1 | N1 | H7 | 169.9° | 175.8° |
| O1 | S1 | C3 | H6 | 169.7° | 51.6° |
| O1 | S1 | C3 | H5 | 51.1° | 171.6° |
| S1 | C3 | C2 | H6 | 120.7° | 120.0° |
| S1 | C3 | C2 | H5 | 120.6° | 120.0° |
| S1 | C3 | C2 | C1 | 140.6° | 65.0° |
| S1 | C3 | C2 | C4 | 93.9° | 175.0° |
| C3 | S1 | N1 | H8 | 68.4° | 120.0° |
| C3 | S1 | N1 | H7 | 51.6° | 59.7° |
| S1 | C3 | C2 | H4 | 23.1° | 55.0° |
| S1 | C3 | H6 | H5 | 117.9° | 120.0° |
| C3 | C2 | C1 | C4 | 125.1° | 120.0° |
| C3 | C2 | C1 | H4 | 117.4° | 120.0° |
| C3 | C2 | C4 | H4 | 116.8° | 120.0° |
| C3 | C2 | C4 | C9 | 133.2° | 120.1° |
| C3 | C2 | C4 | C5 | 51.1° | 60.3° |
| C3 | C2 | C1 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H1 | 60.0° | 60.0° |
| C2 | C3 | H6 | H5 | 118.0° | 120.0° |
| C1 | C2 | C4 | H4 | 117.4° | 120.1° |
| C1 | C2 | C4 | C9 | 101.0° | 120.0° |
| C1 | C2 | C4 | C5 | 74.7° | 59.7° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.1° |
| C1 | C2 | C3 | H6 | 19.9° | 175.0° |
| C1 | C2 | C3 | H5 | 98.8° | 55.0° |
| C2 | C4 | C9 | C5 | 175.8° | 179.7° |
| C2 | C4 | C9 | C8 | 176.5° | 179.7° |
| C2 | C4 | C5 | C6 | 176.1° | 179.7° |
| C2 | C4 | C5 | H9 | 3.9° | 0.3° |
| C4 | C2 | C1 | H3 | 54.9° | 60.0° |
| C4 | C2 | C1 | H2 | 174.9° | 180.0° |
| C4 | C2 | C1 | H1 | 65.1° | 59.9° |
| C4 | C2 | C3 | H6 | 145.4° | 55.0° |
| C4 | C2 | C3 | H5 | 26.8° | 65.0° |
| C2 | C4 | C9 | H13 | 3.5° | 0.3° |
| C4 | C9 | C8 | H13 | 180.0° | 180.0° |
| C4 | C9 | C8 | C7 | 1.0° | 0.0° |
| C9 | C4 | C5 | C6 | 0.3° | 0.0° |
| C9 | C4 | C5 | H9 | 179.7° | 180.0° |
| C4 | C9 | C8 | H12 | 179.0° | 180.0° |
| C9 | C4 | C2 | H4 | 16.4° | 0.1° |
| C5 | C4 | C9 | C8 | 0.7° | 0.0° |
| C4 | C5 | C6 | H9 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.8° | 0.0° |
| C4 | C5 | C6 | H10 | 178.2° | 180.0° |
| C5 | C4 | C2 | H4 | 168.0° | 179.7° |
| C5 | C4 | C9 | H13 | 179.2° | 180.0° |
| C9 | C8 | C7 | H12 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 3.1° | 0.1° |
| C9 | C8 | C7 | H11 | 176.9° | 180.0° |
| C8 | C7 | C6 | C5 | 3.5° | 0.1° |
| C8 | C7 | C6 | H11 | 180.0° | 179.9° |
| C8 | C7 | C6 | H10 | 176.5° | 180.0° |
| C7 | C8 | C9 | H13 | 179.1° | 180.0° |
| C5 | C6 | C7 | H10 | 180.0° | 180.0° |
| C5 | C6 | C7 | H11 | 176.4° | 180.0° |
| C7 | C6 | C5 | H9 | 178.2° | 180.0° |
| C6 | C7 | C8 | H12 | 176.9° | 180.0° |
| H9 | C5 | C6 | H10 | 1.8° | 0.0° |
| H10 | C6 | C7 | H11 | 3.5° | 0.1° |
| H11 | C7 | C8 | H12 | 3.2° | 0.1° |
| H12 | C8 | C9 | H13 | 1.0° | 0.0° |
| H3 | C1 | H2 | H1 | 120.0° | 119.9° |
| H3 | C1 | C2 | H4 | 62.6° | 60.1° |
| H2 | C1 | C2 | H4 | 57.4° | 60.0° |
| H1 | C1 | C2 | H4 | 177.4° | 180.0° |
| H4 | C2 | C3 | H6 | 97.6° | 65.0° |
| H4 | C2 | C3 | H5 | 143.8° | 175.0° |
