VBV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S | doub | 1.42Å | 1.45Å | |
| O | S | doub | 1.42Å | 1.46Å | |
| S | O1 | sing | 1.52Å | 1.45Å | |
| S | C | sing | 1.76Å | 1.76Å | |
| C5 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C6 | sing | 1.48Å | 1.48Å | |
| C11 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | S1 | sing | 1.76Å | 1.77Å | |
| O5 | S1 | doub | 1.42Å | 1.48Å | |
| S1 | O4 | doub | 1.42Å | 1.45Å | |
| S1 | O3 | sing | 1.52Å | 1.45Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S | O | 111.1° | 123.1° |
| O2 | S | O1 | 114.0° | 106.4° |
| O2 | S | C | 106.7° | 106.4° |
| O | S | O1 | 111.6° | 106.4° |
| O | S | C | 106.1° | 106.4° |
| O1 | S | C | 106.8° | 107.2° |
| S | O1 | H10 | 109.5° | 114.0° |
| S | C | C5 | 119.7° | 119.9° |
| S | C | C1 | 120.1° | 119.8° |
| C | C5 | C4 | 119.7° | 120.1° |
| C5 | C | C1 | 120.1° | 120.3° |
| C | C5 | H7 | 120.2° | 119.9° |
| C5 | C4 | C3 | 121.4° | 119.9° |
| C5 | C4 | H6 | 119.3° | 120.1° |
| C4 | C5 | H7 | 120.2° | 119.9° |
| C | C1 | C2 | 119.6° | 120.1° |
| C | C1 | H2 | 120.2° | 120.0° |
| C4 | C3 | C2 | 117.9° | 119.8° |
| C4 | C3 | C6 | 120.7° | 120.1° |
| C3 | C4 | H6 | 119.3° | 120.1° |
| C1 | C2 | C3 | 121.3° | 119.9° |
| C2 | C1 | H2 | 120.2° | 119.9° |
| C1 | C2 | H5 | 119.3° | 120.1° |
| C2 | C3 | C6 | 121.4° | 120.1° |
| C3 | C2 | H5 | 119.4° | 120.1° |
| C3 | C6 | C11 | 120.7° | 120.1° |
| C3 | C6 | C7 | 121.3° | 120.1° |
| C6 | C11 | C10 | 121.4° | 119.9° |
| C11 | C6 | C7 | 118.0° | 119.8° |
| C6 | C11 | H4 | 119.3° | 120.1° |
| C11 | C10 | C9 | 119.4° | 120.1° |
| C11 | C10 | H3 | 120.3° | 120.0° |
| C10 | C11 | H4 | 119.3° | 120.1° |
| C6 | C7 | C8 | 121.4° | 119.8° |
| C6 | C7 | H1 | 119.3° | 120.1° |
| C10 | C9 | C8 | 120.5° | 120.3° |
| C10 | C9 | S1 | 119.6° | 119.9° |
| C9 | C10 | H3 | 120.3° | 119.9° |
| C7 | C8 | C9 | 119.4° | 120.1° |
| C8 | C7 | H1 | 119.3° | 120.1° |
| C7 | C8 | H8 | 120.3° | 120.0° |
| C8 | C9 | S1 | 119.9° | 119.8° |
| C9 | C8 | H8 | 120.3° | 119.9° |
| C9 | S1 | O5 | 106.3° | 106.4° |
| C9 | S1 | O4 | 106.3° | 106.4° |
| C9 | S1 | O3 | 106.7° | 107.2° |
| O5 | S1 | O4 | 111.3° | 123.2° |
| O5 | S1 | O3 | 111.0° | 106.4° |
| O4 | S1 | O3 | 114.6° | 106.4° |
| S1 | O3 | H9 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S | O | O1 | 128.4° | 122.9° |
| O2 | S | O | C | 115.6° | 123.0° |
| O2 | S | O1 | C | 117.5° | 113.6° |
| O2 | S | C | C5 | 33.6° | 156.2° |
| O2 | S | C | C1 | 148.7° | 23.6° |
| O2 | S | O1 | H10 | 126.9° | 66.4° |
| O | S | O1 | C | 115.6° | 113.5° |
| O | S | C | C5 | 84.9° | 23.3° |
| O | S | C | C1 | 92.8° | 156.5° |
| O | S | O1 | H10 | 0.0° | 66.4° |
| O1 | S | C | C5 | 155.8° | 90.2° |
| O1 | S | C | C1 | 26.5° | 90.0° |
| S | C | C5 | C1 | 177.7° | 179.8° |
| S | C | C5 | C4 | 176.3° | 179.7° |
| S | C | C1 | C2 | 176.3° | 179.7° |
| S | C | C1 | H2 | 3.7° | 0.3° |
| S | C | C5 | H7 | 3.7° | 0.2° |
| C | S | O1 | H10 | 115.6° | 180.0° |
| C | C5 | C4 | H7 | 180.0° | 180.0° |
| C | C5 | C4 | C3 | 0.0° | 0.0° |
| C5 | C | C1 | C2 | 1.4° | 0.0° |
| C5 | C | C1 | H2 | 178.6° | 180.0° |
| C | C5 | C4 | H6 | 180.0° | 180.0° |
| C4 | C5 | C | C1 | 1.4° | 0.0° |
| C5 | C4 | C3 | H6 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 1.3° | 0.0° |
| C5 | C4 | C3 | C6 | 176.2° | 179.9° |
| C | C1 | C2 | H2 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 0.0° | 0.0° |
| C | C1 | C2 | H5 | 180.0° | 180.0° |
| C1 | C | C5 | H7 | 178.6° | 180.0° |
| C4 | C3 | C2 | C1 | 1.3° | 0.0° |
| C4 | C3 | C2 | C6 | 177.5° | 180.0° |
| C4 | C3 | C6 | C11 | 39.8° | 0.0° |
| C4 | C3 | C6 | C7 | 139.4° | 180.0° |
| C4 | C3 | C2 | H5 | 178.7° | 180.0° |
| C3 | C4 | C5 | H7 | 180.0° | 180.0° |
| C1 | C2 | C3 | H5 | 180.0° | 180.0° |
| C1 | C2 | C3 | C6 | 176.2° | 179.9° |
| C2 | C3 | C6 | C11 | 137.7° | 180.0° |
| C2 | C3 | C6 | C7 | 43.1° | 0.1° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | H6 | 178.7° | 180.0° |
| C3 | C6 | C11 | C7 | 179.3° | 179.9° |
| C3 | C6 | C11 | C10 | 178.8° | 179.4° |
| C3 | C6 | C7 | C8 | 178.8° | 180.0° |
| C3 | C6 | C7 | H1 | 1.2° | 0.4° |
| C3 | C6 | C11 | H4 | 1.2° | 0.0° |
| C6 | C3 | C2 | H5 | 3.8° | 0.0° |
| C6 | C3 | C4 | H6 | 3.7° | 0.0° |
| C6 | C11 | C10 | H4 | 180.0° | 179.4° |
| C6 | C11 | C10 | C9 | 0.1° | 0.8° |
| C11 | C6 | C7 | C8 | 0.5° | 0.0° |
| C11 | C6 | C7 | H1 | 179.5° | 179.7° |
| C6 | C11 | C10 | H3 | 179.9° | 179.7° |
| C10 | C11 | C6 | C7 | 0.5° | 0.5° |
| C11 | C10 | C9 | H3 | 180.0° | 179.5° |
| C11 | C10 | C9 | C8 | 0.3° | 0.5° |
| C11 | C10 | C9 | S1 | 179.5° | 180.0° |
| C6 | C7 | C8 | H1 | 180.0° | 179.7° |
| C6 | C7 | C8 | C9 | 0.0° | 0.3° |
| C7 | C6 | C11 | H4 | 179.5° | 180.0° |
| C6 | C7 | C8 | H8 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 0.4° | 0.0° |
| C10 | C9 | C8 | S1 | 179.8° | 179.5° |
| C10 | C9 | S1 | O5 | 50.5° | 156.5° |
| C10 | C9 | S1 | O4 | 68.2° | 23.5° |
| C10 | C9 | S1 | O3 | 169.1° | 90.0° |
| C9 | C10 | C11 | H4 | 179.9° | 179.8° |
| C10 | C9 | C8 | H8 | 179.6° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | S1 | 179.5° | 179.4° |
| C8 | C9 | S1 | O5 | 129.3° | 23.0° |
| C8 | C9 | S1 | O4 | 112.0° | 155.9° |
| C8 | C9 | S1 | O3 | 10.8° | 90.6° |
| C9 | C8 | C7 | H1 | 180.0° | 180.0° |
| C8 | C9 | C10 | H3 | 179.7° | 180.0° |
| C9 | S1 | O5 | O4 | 115.4° | 123.0° |
| C9 | S1 | O5 | O3 | 115.7° | 114.1° |
| C9 | S1 | O4 | O3 | 117.6° | 114.1° |
| S1 | C9 | C10 | H3 | 0.5° | 0.5° |
| S1 | C9 | C8 | H8 | 0.5° | 0.5° |
| C9 | S1 | O3 | H9 | 115.4° | 180.0° |
| O5 | S1 | O4 | O3 | 127.1° | 122.9° |
| O5 | S1 | O3 | H9 | 0.0° | 66.5° |
| O4 | S1 | O3 | H9 | 127.2° | 66.4° |
| H1 | C7 | C8 | H8 | 0.0° | 0.0° |
| H2 | C1 | C2 | H5 | 0.0° | 0.0° |
| H3 | C10 | C11 | H4 | 0.1° | 0.3° |
| H6 | C4 | C5 | H7 | 0.0° | 0.1° |
