VJO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | S | doub | 1.42Å | 1.37Å | |
| S | C | sing | 1.81Å | 1.63Å | |
| S | O1 | doub | 1.42Å | 1.37Å | |
| S | N | sing | 1.66Å | 1.62Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| N | C1 | sing | 1.40Å | 1.42Å | |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | O3 | sing | 1.36Å | 1.34Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| O3 | C8 | sing | 1.43Å | 1.39Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | O2 | sing | 1.36Å | 1.36Å | |
| O2 | C7 | sing | 1.43Å | 1.42Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| N | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | S | C | 109.7° | 110.5° |
| O | S | O1 | 122.3° | 121.0° |
| O | S | N | 109.7° | 104.2° |
| C | S | O1 | 105.1° | 110.6° |
| C | S | N | 102.9° | 104.4° |
| S | C | H8 | 109.5° | 109.5° |
| S | C | H9 | 109.5° | 109.5° |
| S | C | H10 | 109.4° | 109.5° |
| O1 | S | N | 105.5° | 104.3° |
| S | N | C1 | 125.3° | 119.9° |
| S | N | H11 | 105.4° | 120.0° |
| C3 | C2 | C1 | 121.3° | 120.1° |
| C2 | C3 | C4 | 118.1° | 120.2° |
| C2 | C3 | H6 | 120.9° | 119.9° |
| C3 | C2 | H7 | 119.3° | 120.0° |
| C2 | C1 | N | 119.5° | 120.1° |
| C2 | C1 | C6 | 120.9° | 119.9° |
| C1 | C2 | H7 | 119.3° | 120.0° |
| C3 | C4 | O3 | 116.8° | 119.3° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C4 | C3 | H6 | 120.9° | 120.0° |
| N | C1 | C6 | 119.6° | 120.0° |
| C1 | N | H11 | 105.3° | 120.1° |
| C1 | C6 | C5 | 117.8° | 120.0° |
| C1 | C6 | H5 | 121.1° | 120.0° |
| O3 | C4 | C5 | 122.1° | 120.7° |
| C4 | O3 | C8 | 114.0° | 116.7° |
| C4 | C5 | C6 | 120.7° | 119.9° |
| C4 | C5 | O2 | 121.6° | 120.8° |
| O3 | C8 | C7 | 108.6° | 108.2° |
| O3 | C8 | H3 | 109.7° | 109.7° |
| O3 | C8 | H4 | 109.7° | 109.7° |
| C8 | C7 | O2 | 109.3° | 108.3° |
| C8 | C7 | H1 | 109.5° | 109.7° |
| C8 | C7 | H2 | 109.5° | 109.7° |
| C7 | C8 | H3 | 109.7° | 109.7° |
| C7 | C8 | H4 | 109.7° | 109.7° |
| C6 | C5 | O2 | 117.8° | 119.3° |
| C5 | C6 | H5 | 121.1° | 120.0° |
| C5 | O2 | C7 | 110.8° | 116.7° |
| O2 | C7 | H1 | 109.5° | 109.7° |
| O2 | C7 | H2 | 109.5° | 109.7° |
| H1 | C7 | H2 | 109.5° | 109.7° |
| H3 | C8 | H4 | 109.5° | 109.7° |
| H8 | C | H9 | 109.4° | 109.5° |
| H8 | C | H10 | 109.4° | 109.4° |
| H9 | C | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | S | C | O1 | 133.1° | 136.8° |
| O | S | C | N | 116.7° | 111.6° |
| O | S | O1 | N | 126.0° | 116.7° |
| O | S | N | C1 | 69.0° | 179.7° |
| O | S | C | H8 | 180.0° | 166.7° |
| O | S | C | H9 | 60.0° | 46.6° |
| O | S | C | H10 | 60.0° | 73.3° |
| O | S | N | H11 | 168.9° | 0.3° |
| C | S | O1 | N | 108.3° | 111.8° |
| C | S | N | C1 | 47.8° | 64.3° |
| S | C | H8 | H9 | 120.0° | 120.1° |
| S | C | H8 | H10 | 120.0° | 120.0° |
| S | C | H9 | H10 | 120.0° | 120.0° |
| C | S | N | H11 | 74.4° | 115.7° |
| O1 | S | N | C1 | 157.6° | 51.9° |
| O1 | S | C | H8 | 46.8° | 56.5° |
| O1 | S | C | H9 | 166.9° | 176.6° |
| O1 | S | C | H10 | 73.1° | 63.4° |
| O1 | S | N | H11 | 35.5° | 128.1° |
| S | N | C1 | C2 | 0.3° | 104.8° |
| S | N | C1 | H11 | 122.1° | 180.0° |
| S | N | C1 | C6 | 179.5° | 75.2° |
| N | S | C | H8 | 63.3° | 55.1° |
| N | S | C | H9 | 56.7° | 65.0° |
| N | S | C | H10 | 176.7° | 175.1° |
| C3 | C2 | C1 | H7 | 180.0° | 179.9° |
| C2 | C3 | C4 | H6 | 180.0° | 179.9° |
| C3 | C2 | C1 | N | 179.9° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.0° |
| C2 | C3 | C4 | O3 | 179.7° | 179.8° |
| C2 | C3 | C4 | C5 | 0.1° | 0.2° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C2 | C1 | N | C6 | 179.9° | 179.9° |
| C2 | C1 | C6 | C5 | 0.5° | 0.0° |
| C2 | C1 | C6 | H5 | 179.5° | 180.0° |
| C1 | C2 | C3 | H6 | 179.7° | 180.0° |
| C2 | C1 | N | H11 | 122.5° | 75.2° |
| C3 | C4 | O3 | C5 | 179.7° | 180.0° |
| C3 | C4 | O3 | C8 | 167.2° | 162.9° |
| C3 | C4 | C5 | C6 | 0.7° | 0.1° |
| C3 | C4 | C5 | O2 | 177.5° | 179.7° |
| C4 | C3 | C2 | H7 | 179.7° | 180.0° |
| N | C1 | C6 | C5 | 179.3° | 179.9° |
| N | C1 | C6 | H5 | 0.7° | 0.1° |
| N | C1 | C2 | H7 | 0.1° | 0.1° |
| C1 | C6 | C5 | C4 | 0.9° | 0.1° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C1 | C6 | C5 | O2 | 177.4° | 179.8° |
| C6 | C1 | C2 | H7 | 179.9° | 180.0° |
| C6 | C1 | N | H11 | 57.4° | 104.8° |
| C4 | O3 | C8 | C7 | 45.4° | 46.2° |
| O3 | C4 | C5 | C6 | 179.7° | 179.8° |
| O3 | C4 | C5 | O2 | 2.2° | 0.3° |
| C4 | O3 | C8 | H3 | 74.5° | 73.5° |
| C4 | O3 | C8 | H4 | 165.3° | 165.9° |
| O3 | C4 | C3 | H6 | 0.3° | 0.0° |
| C5 | C4 | O3 | C8 | 13.1° | 17.1° |
| C4 | C5 | C6 | O2 | 178.2° | 179.9° |
| C4 | C5 | O2 | C7 | 18.8° | 17.2° |
| C4 | C5 | C6 | H5 | 179.1° | 179.9° |
| C5 | C4 | C3 | H6 | 180.0° | 180.0° |
| O3 | C8 | C7 | H3 | 119.9° | 119.7° |
| O3 | C8 | C7 | H4 | 119.9° | 119.7° |
| O3 | C8 | C7 | O2 | 67.1° | 59.8° |
| O3 | C8 | C7 | H1 | 172.9° | 59.9° |
| O3 | C8 | C7 | H2 | 52.9° | 179.5° |
| O3 | C8 | H3 | H4 | 120.4° | 120.6° |
| C8 | C7 | O2 | C5 | 51.4° | 46.3° |
| C8 | C7 | O2 | H1 | 120.0° | 119.7° |
| C8 | C7 | O2 | H2 | 119.9° | 119.7° |
| C8 | C7 | H1 | H2 | 120.0° | 120.6° |
| C7 | C8 | H3 | H4 | 120.4° | 120.6° |
| C6 | C5 | O2 | C7 | 159.4° | 162.9° |
| C5 | O2 | C7 | H1 | 171.4° | 73.4° |
| C5 | O2 | C7 | H2 | 68.5° | 166.0° |
| O2 | C5 | C6 | H5 | 2.7° | 0.2° |
| O2 | C7 | H1 | H2 | 120.1° | 120.6° |
| O2 | C7 | C8 | H3 | 52.8° | 59.9° |
| O2 | C7 | C8 | H4 | 173.1° | 179.5° |
| H1 | C7 | C8 | H3 | 67.2° | 179.6° |
| H1 | C7 | C8 | H4 | 53.1° | 59.8° |
| H2 | C7 | C8 | H3 | 172.8° | 59.9° |
| H2 | C7 | C8 | H4 | 67.0° | 60.8° |
| H6 | C3 | C2 | H7 | 0.3° | 0.1° |
| H8 | C | H9 | H10 | 120.0° | 120.0° |
