VO9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C | doub | 1.34Å | 1.35Å | Aromatic |
| C3 | S | sing | 1.71Å | 1.62Å | Aromatic |
| C | C1 | sing | 1.37Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C8 | C7 | sing | 1.53Å | 1.49Å | |
| S | C2 | sing | 1.76Å | 1.69Å | Aromatic |
| C1 | C2 | doub | 1.37Å | 1.32Å | Aromatic |
| C2 | C4 | sing | 1.47Å | 1.45Å | |
| C9 | C7 | sing | 1.53Å | 1.49Å | |
| C7 | N | sing | 1.46Å | 1.44Å | |
| C4 | N | sing | 1.35Å | 1.38Å | |
| C4 | O | doub | 1.22Å | 1.16Å | |
| N | C5 | sing | 1.47Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | O1 | sing | 1.43Å | 1.35Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C3 | S | 111.8° | 111.0° |
| C3 | C | C1 | 112.8° | 115.1° |
| C | C3 | H12 | 124.1° | 124.5° |
| C3 | C | H13 | 123.6° | 122.5° |
| C3 | S | C2 | 93.0° | 91.6° |
| S | C3 | H12 | 124.1° | 124.5° |
| C | C1 | C2 | 110.5° | 113.3° |
| C | C1 | H7 | 124.8° | 123.3° |
| C1 | C | H13 | 123.6° | 122.5° |
| C9 | C8 | C7 | 59.8° | 60.0° |
| C8 | C9 | C7 | 59.9° | 60.0° |
| C9 | C8 | H2 | 120.0° | 117.5° |
| C9 | C8 | H3 | 120.0° | 117.5° |
| C8 | C9 | H4 | 120.0° | 117.5° |
| C8 | C9 | H5 | 120.0° | 117.4° |
| C8 | C7 | C9 | 60.4° | 60.1° |
| C8 | C7 | N | 124.9° | 117.5° |
| C8 | C7 | H1 | 114.0° | 117.5° |
| C7 | C8 | H2 | 120.0° | 117.5° |
| C7 | C8 | H3 | 120.0° | 117.5° |
| S | C2 | C1 | 111.9° | 109.0° |
| S | C2 | C4 | 119.2° | 125.5° |
| C1 | C2 | C4 | 128.5° | 125.5° |
| C2 | C1 | H7 | 124.8° | 123.3° |
| C2 | C4 | N | 128.5° | 120.0° |
| C2 | C4 | O | 114.7° | 120.0° |
| C9 | C7 | N | 117.5° | 117.5° |
| C9 | C7 | H1 | 114.0° | 117.5° |
| C7 | C9 | H4 | 120.0° | 117.5° |
| C7 | C9 | H5 | 120.0° | 117.5° |
| C7 | N | C4 | 127.3° | 120.0° |
| C7 | N | C5 | 110.4° | 120.0° |
| N | C7 | H1 | 114.8° | 115.5° |
| N | C4 | O | 116.8° | 120.0° |
| C4 | N | C5 | 117.9° | 120.0° |
| N | C5 | C6 | 107.6° | 109.5° |
| N | C5 | H8 | 109.9° | 109.4° |
| N | C5 | H9 | 110.0° | 109.5° |
| C5 | C6 | O1 | 110.1° | 109.4° |
| C6 | C5 | H8 | 109.9° | 109.4° |
| C6 | C5 | H9 | 109.9° | 109.5° |
| C5 | C6 | H10 | 109.3° | 109.5° |
| C5 | C6 | H11 | 109.3° | 109.5° |
| C6 | O1 | H6 | 109.5° | 114.0° |
| O1 | C6 | H10 | 109.3° | 109.5° |
| O1 | C6 | H11 | 109.3° | 109.5° |
| H2 | C8 | H3 | 109.5° | 115.6° |
| H4 | C9 | H5 | 109.5° | 115.6° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C3 | S | H12 | 180.0° | 179.6° |
| C3 | C | C1 | H13 | 180.0° | 179.5° |
| C | C3 | S | C2 | 0.4° | 0.2° |
| C3 | C | C1 | C2 | 0.7° | 0.5° |
| C3 | C | C1 | H7 | 179.4° | 179.8° |
| S | C3 | C | C1 | 0.1° | 0.5° |
| C3 | S | C2 | C1 | 0.8° | 0.1° |
| C3 | S | C2 | C4 | 173.3° | 180.0° |
| S | C3 | C | H13 | 179.9° | 180.0° |
| C | C1 | C2 | S | 0.9° | 0.3° |
| C | C1 | C2 | H7 | 180.0° | 179.7° |
| C | C1 | C2 | C4 | 172.5° | 179.7° |
| C1 | C | C3 | H12 | 179.9° | 179.9° |
| C9 | C8 | C7 | H2 | 109.4° | 107.5° |
| C9 | C8 | C7 | H3 | 109.4° | 107.5° |
| C8 | C9 | C7 | H4 | 109.4° | 107.5° |
| C8 | C9 | C7 | H5 | 109.4° | 107.4° |
| C9 | C8 | C7 | N | 104.6° | 107.5° |
| C9 | C8 | C7 | H1 | 105.0° | 107.5° |
| C9 | C8 | H2 | H3 | 144.9° | 145.7° |
| C8 | C9 | H4 | H5 | 144.8° | 145.7° |
| C8 | C7 | N | H1 | 150.2° | 145.7° |
| C8 | C7 | N | C4 | 22.2° | 51.5° |
| C8 | C7 | N | C5 | 177.9° | 128.5° |
| C7 | C8 | H2 | H3 | 144.9° | 145.7° |
| S | C2 | C1 | C4 | 173.4° | 179.9° |
| S | C2 | C4 | N | 145.4° | 7.0° |
| S | C2 | C4 | O | 34.9° | 173.0° |
| S | C2 | C1 | H7 | 179.1° | 180.0° |
| C2 | S | C3 | H12 | 179.6° | 179.9° |
| C1 | C2 | C4 | N | 41.6° | 173.1° |
| C1 | C2 | C4 | O | 138.1° | 6.9° |
| C2 | C1 | C | H13 | 179.3° | 180.0° |
| C2 | C4 | N | C7 | 5.2° | 176.0° |
| C2 | C4 | N | O | 179.7° | 180.0° |
| C2 | C4 | N | C5 | 159.3° | 4.1° |
| C4 | C2 | C1 | H7 | 7.5° | 0.0° |
| C9 | C7 | N | H1 | 138.3° | 145.6° |
| C9 | C7 | N | C4 | 49.3° | 17.2° |
| C9 | C7 | N | C5 | 106.4° | 162.8° |
| C7 | C9 | H4 | H5 | 144.8° | 145.8° |
| C7 | N | C4 | C5 | 154.1° | 180.0° |
| C7 | N | C4 | O | 174.5° | 4.0° |
| C7 | N | C5 | C6 | 93.4° | 92.0° |
| N | C7 | C8 | H2 | 146.0° | 0.1° |
| N | C7 | C8 | H3 | 4.8° | 145.0° |
| N | C7 | C9 | H4 | 7.0° | 145.0° |
| N | C7 | C9 | H5 | 134.2° | 0.1° |
| C7 | N | C5 | H8 | 26.3° | 27.9° |
| C7 | N | C5 | H9 | 146.9° | 147.9° |
| C4 | N | C5 | C6 | 64.8° | 88.0° |
| C4 | N | C7 | H1 | 172.4° | 162.8° |
| C4 | N | C5 | H8 | 175.5° | 152.1° |
| C4 | N | C5 | H9 | 54.9° | 32.1° |
| O | C4 | N | C5 | 20.3° | 176.0° |
| N | C5 | C6 | H8 | 119.7° | 119.9° |
| N | C5 | C6 | H9 | 119.7° | 120.0° |
| N | C5 | C6 | O1 | 126.1° | 65.1° |
| C5 | N | C7 | H1 | 31.9° | 17.2° |
| N | C5 | H8 | H9 | 120.9° | 120.0° |
| N | C5 | C6 | H10 | 6.0° | 54.9° |
| N | C5 | C6 | H11 | 113.8° | 175.0° |
| C5 | C6 | O1 | H10 | 120.1° | 120.0° |
| C5 | C6 | O1 | H11 | 120.1° | 120.0° |
| C5 | C6 | O1 | H6 | 180.0° | 180.0° |
| C6 | C5 | H8 | H9 | 120.9° | 120.0° |
| C5 | C6 | H10 | H11 | 119.8° | 120.0° |
| O1 | C6 | C5 | H8 | 114.2° | 175.0° |
| O1 | C6 | C5 | H9 | 6.4° | 55.0° |
| O1 | C6 | H10 | H11 | 119.7° | 120.0° |
| H1 | C7 | C8 | H2 | 4.4° | 145.1° |
| H1 | C7 | C8 | H3 | 145.6° | 0.0° |
| H1 | C7 | C9 | H4 | 145.6° | 0.1° |
| H1 | C7 | C9 | H5 | 4.4° | 145.1° |
| H2 | C8 | C9 | H4 | 141.2° | 145.1° |
| H2 | C8 | C9 | H5 | 0.0° | 0.0° |
| H3 | C8 | C9 | H4 | 0.0° | 0.0° |
| H3 | C8 | C9 | H5 | 141.2° | 145.0° |
| H6 | O1 | C6 | H10 | 59.9° | 60.0° |
| H6 | O1 | C6 | H11 | 59.9° | 60.0° |
| H7 | C1 | C | H13 | 0.6° | 0.3° |
| H8 | C5 | C6 | H10 | 125.7° | 65.0° |
| H8 | C5 | C6 | H11 | 5.9° | 55.0° |
| H9 | C5 | C6 | H10 | 113.7° | 175.0° |
| H9 | C5 | C6 | H11 | 126.5° | 65.0° |
| H12 | C3 | C | H13 | 0.1° | 0.4° |
