VD9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| O4 | S2 | doub | 1.42Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| S2 | O1 | doub | 1.42Å | 1.50Å | |
| S2 | C5 | sing | 1.76Å | 1.74Å | |
| S2 | N3 | sing | 1.66Å | 1.60Å | |
| C10 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | S11 | sing | 1.81Å | 1.84Å | |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | S11 | sing | 1.76Å | 1.79Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 109.7° | 109.5° |
| C14 | C13 | H9 | 109.4° | 109.5° |
| C14 | C13 | H10 | 109.4° | 109.5° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C13 | C14 | H12 | 109.4° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.4° |
| O4 | S2 | O1 | 114.1° | 123.2° |
| O4 | S2 | C5 | 105.0° | 106.4° |
| O4 | S2 | N3 | 111.1° | 106.4° |
| C13 | C12 | S11 | 111.7° | 109.5° |
| C13 | C12 | H7 | 108.9° | 109.5° |
| C13 | C12 | H8 | 108.9° | 109.5° |
| C12 | C13 | H9 | 109.4° | 109.5° |
| C12 | C13 | H10 | 109.4° | 109.5° |
| O1 | S2 | C5 | 105.8° | 106.4° |
| O1 | S2 | N3 | 110.1° | 106.4° |
| C5 | S2 | N3 | 110.5° | 107.2° |
| S2 | C5 | C10 | 120.4° | 119.9° |
| S2 | C5 | C6 | 120.8° | 119.9° |
| S2 | N3 | H1 | 109.5° | 120.0° |
| S2 | N3 | H2 | 109.5° | 120.0° |
| C5 | C10 | C9 | 121.6° | 120.1° |
| C10 | C5 | C6 | 118.6° | 120.2° |
| C5 | C10 | H3 | 119.2° | 120.0° |
| C10 | C9 | C8 | 116.3° | 119.9° |
| C9 | C10 | H3 | 119.2° | 119.9° |
| C10 | C9 | H4 | 121.9° | 120.0° |
| C5 | C6 | C7 | 123.3° | 120.1° |
| C5 | C6 | H6 | 118.3° | 120.0° |
| C12 | S11 | C8 | 104.9° | 103.0° |
| S11 | C12 | H7 | 108.9° | 109.5° |
| S11 | C12 | H8 | 108.9° | 109.5° |
| C9 | C8 | C7 | 125.3° | 119.9° |
| C9 | C8 | S11 | 121.7° | 120.0° |
| C8 | C9 | H4 | 121.9° | 120.1° |
| C6 | C7 | C8 | 114.3° | 119.9° |
| C6 | C7 | H5 | 122.8° | 120.1° |
| C7 | C6 | H6 | 118.3° | 119.9° |
| C7 | C8 | S11 | 112.9° | 120.1° |
| C8 | C7 | H5 | 122.8° | 120.0° |
| H1 | N3 | H2 | 109.5° | 120.0° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.4° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H9 | 120.0° | 120.0° |
| C14 | C13 | C12 | H10 | 120.0° | 120.0° |
| C14 | C13 | C12 | S11 | 177.8° | 180.0° |
| C14 | C13 | C12 | H7 | 57.4° | 59.9° |
| C14 | C13 | C12 | H8 | 61.9° | 60.0° |
| C14 | C13 | H9 | H10 | 119.9° | 120.0° |
| C13 | C14 | H11 | H12 | 120.0° | 120.0° |
| C13 | C14 | H11 | H13 | 120.0° | 120.0° |
| C13 | C14 | H12 | H13 | 120.0° | 120.0° |
| O4 | S2 | O1 | C5 | 114.9° | 122.9° |
| O4 | S2 | O1 | N3 | 125.6° | 123.0° |
| O4 | S2 | C5 | N3 | 119.9° | 113.6° |
| O4 | S2 | C5 | C10 | 109.2° | 156.7° |
| O4 | S2 | C5 | C6 | 75.8° | 23.6° |
| O4 | S2 | N3 | H1 | 180.0° | 6.5° |
| O4 | S2 | N3 | H2 | 60.0° | 173.6° |
| C13 | C12 | S11 | H7 | 120.3° | 120.0° |
| C13 | C12 | S11 | H8 | 120.3° | 120.0° |
| C13 | C12 | S11 | C8 | 70.4° | 180.0° |
| C13 | C12 | H7 | H8 | 119.0° | 120.0° |
| C12 | C13 | H9 | H10 | 119.9° | 120.0° |
| C12 | C13 | C14 | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | H12 | 60.0° | 60.0° |
| C12 | C13 | C14 | H13 | 60.0° | 60.0° |
| O1 | S2 | C5 | N3 | 119.1° | 113.5° |
| O1 | S2 | C5 | C10 | 11.8° | 23.8° |
| O1 | S2 | C5 | C6 | 163.2° | 156.5° |
| O1 | S2 | N3 | H1 | 52.7° | 126.4° |
| O1 | S2 | N3 | H2 | 172.7° | 53.5° |
| S2 | C5 | C10 | C6 | 175.1° | 179.7° |
| S2 | C5 | C10 | C9 | 177.8° | 180.0° |
| S2 | C5 | C6 | C7 | 176.2° | 179.7° |
| C5 | S2 | N3 | H1 | 63.8° | 120.0° |
| C5 | S2 | N3 | H2 | 56.2° | 60.0° |
| S2 | C5 | C10 | H3 | 2.1° | 0.1° |
| S2 | C5 | C6 | H6 | 3.8° | 0.0° |
| N3 | S2 | C5 | C10 | 130.9° | 89.7° |
| N3 | S2 | C5 | C6 | 44.1° | 90.0° |
| S2 | N3 | H1 | H2 | 120.0° | 179.9° |
| C5 | C10 | C9 | H3 | 180.0° | 179.9° |
| C5 | C10 | C9 | C8 | 4.0° | 0.0° |
| C10 | C5 | C6 | C7 | 8.7° | 0.6° |
| C5 | C10 | C9 | H4 | 176.0° | 180.0° |
| C10 | C5 | C6 | H6 | 171.3° | 179.7° |
| C9 | C10 | C5 | C6 | 7.1° | 0.3° |
| C10 | C9 | C8 | H4 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 2.5° | 0.0° |
| C10 | C9 | C8 | S11 | 178.2° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C5 | C6 | C7 | C8 | 6.9° | 0.6° |
| C6 | C5 | C10 | H3 | 173.0° | 179.8° |
| C5 | C6 | C7 | H5 | 173.1° | 179.7° |
| C12 | S11 | C8 | C9 | 8.6° | 180.0° |
| C12 | S11 | C8 | C7 | 167.7° | 0.0° |
| S11 | C12 | H7 | H8 | 119.0° | 120.0° |
| S11 | C12 | C13 | H9 | 62.2° | 60.0° |
| S11 | C12 | C13 | H10 | 57.7° | 60.0° |
| C9 | C8 | C7 | C6 | 3.7° | 0.3° |
| C9 | C8 | C7 | S11 | 176.1° | 180.0° |
| C8 | C9 | C10 | H3 | 176.0° | 179.9° |
| C9 | C8 | C7 | H5 | 176.2° | 180.0° |
| C6 | C7 | C8 | H5 | 180.0° | 179.7° |
| C6 | C7 | C8 | S11 | 179.8° | 179.7° |
| C7 | C8 | C9 | H4 | 177.6° | 180.0° |
| C8 | C7 | C6 | H6 | 173.1° | 179.7° |
| S11 | C8 | C9 | H4 | 1.8° | 0.0° |
| S11 | C8 | C7 | H5 | 0.2° | 0.0° |
| C8 | S11 | C12 | H7 | 49.9° | 60.0° |
| C8 | S11 | C12 | H8 | 169.3° | 60.0° |
| H3 | C10 | C9 | H4 | 4.0° | 0.1° |
| H5 | C7 | C6 | H6 | 6.9° | 0.0° |
| H7 | C12 | C13 | H9 | 177.4° | 180.0° |
| H7 | C12 | C13 | H10 | 62.6° | 60.1° |
| H8 | C12 | C13 | H9 | 58.1° | 60.0° |
| H8 | C12 | C13 | H10 | 178.1° | 180.0° |
| H9 | C13 | C14 | H11 | 60.0° | 59.9° |
| H9 | C13 | C14 | H12 | 60.0° | 180.0° |
| H9 | C13 | C14 | H13 | 180.0° | 60.0° |
| H10 | C13 | C14 | H11 | 60.0° | 60.0° |
| H10 | C13 | C14 | H12 | 180.0° | 60.0° |
| H10 | C13 | C14 | H13 | 60.0° | 180.0° |
| H11 | C14 | H12 | H13 | 120.0° | 120.0° |
