VD8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | S7 | doub | 1.42Å | 1.54Å | |
| O10 | S7 | doub | 1.42Å | 1.57Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C18 | C15 | sing | 1.53Å | 1.51Å | |
| S7 | N8 | sing | 1.66Å | 1.68Å | |
| S7 | C6 | sing | 1.76Å | 1.80Å | |
| C2 | C6 | doub | 1.38Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C1 | sing | 1.51Å | 1.55Å | |
| C15 | C17 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.45Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.43Å | Aromatic |
| C4 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | C14 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.49Å | |
| C11 | C12 | sing | 1.53Å | 1.57Å | |
| N8 | H1 | sing | 0.97Å | 1.00Å | |
| N8 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | S7 | O10 | 106.9° | 123.2° |
| O9 | S7 | N8 | 112.1° | 106.4° |
| O9 | S7 | C6 | 113.4° | 106.4° |
| O10 | S7 | N8 | 108.3° | 106.4° |
| O10 | S7 | C6 | 111.6° | 106.4° |
| C16 | C15 | C18 | 99.0° | 109.5° |
| C16 | C15 | C1 | 112.1° | 109.5° |
| C16 | C15 | C17 | 102.2° | 109.5° |
| C15 | C16 | H21 | 109.5° | 109.5° |
| C15 | C16 | H22 | 109.5° | 109.4° |
| C15 | C16 | H23 | 109.5° | 109.5° |
| C18 | C15 | C1 | 115.9° | 109.4° |
| C18 | C15 | C17 | 112.0° | 109.5° |
| C15 | C18 | H15 | 109.5° | 109.5° |
| C15 | C18 | H16 | 109.5° | 109.4° |
| C15 | C18 | H17 | 109.4° | 109.4° |
| N8 | S7 | C6 | 104.5° | 107.2° |
| S7 | N8 | H1 | 109.5° | 120.0° |
| S7 | N8 | H2 | 109.5° | 120.1° |
| S7 | C6 | C2 | 118.4° | 120.0° |
| S7 | C6 | C5 | 116.6° | 120.0° |
| C6 | C2 | C1 | 124.0° | 120.0° |
| C2 | C6 | C5 | 124.5° | 120.0° |
| C6 | C2 | H3 | 118.0° | 120.0° |
| C2 | C1 | C15 | 122.4° | 120.0° |
| C2 | C1 | C3 | 114.1° | 120.0° |
| C1 | C2 | H3 | 118.0° | 120.0° |
| C1 | C15 | C17 | 113.8° | 109.5° |
| C15 | C1 | C3 | 123.4° | 120.0° |
| C15 | C17 | H18 | 109.5° | 109.5° |
| C15 | C17 | H19 | 109.5° | 109.5° |
| C15 | C17 | H20 | 109.5° | 109.5° |
| C6 | C5 | C4 | 114.9° | 120.0° |
| C6 | C5 | H4 | 122.6° | 120.0° |
| C1 | C3 | C4 | 122.8° | 120.0° |
| C1 | C3 | H14 | 118.6° | 119.9° |
| C5 | C4 | C3 | 119.2° | 120.0° |
| C5 | C4 | C11 | 122.0° | 120.0° |
| C4 | C5 | H4 | 122.6° | 120.0° |
| C3 | C4 | C11 | 118.8° | 120.0° |
| C4 | C3 | H14 | 118.6° | 120.0° |
| C4 | C11 | C14 | 111.0° | 109.5° |
| C4 | C11 | C13 | 108.9° | 109.5° |
| C4 | C11 | C12 | 112.7° | 109.4° |
| C14 | C11 | C13 | 107.0° | 109.5° |
| C14 | C11 | C12 | 110.1° | 109.5° |
| C11 | C14 | H5 | 109.5° | 109.5° |
| C11 | C14 | H6 | 109.5° | 109.5° |
| C11 | C14 | H7 | 109.5° | 109.5° |
| C13 | C11 | C12 | 106.9° | 109.5° |
| C11 | C13 | H8 | 109.5° | 109.5° |
| C11 | C13 | H9 | 109.5° | 109.5° |
| C11 | C13 | H10 | 109.5° | 109.4° |
| C11 | C12 | H11 | 109.5° | 109.5° |
| C11 | C12 | H12 | 109.5° | 109.4° |
| C11 | C12 | H13 | 109.5° | 109.5° |
| H1 | N8 | H2 | 109.4° | 120.0° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H5 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H10 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H11 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.4° | 109.5° |
| H15 | C18 | H17 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H18 | C17 | H20 | 109.4° | 109.4° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H21 | C16 | H23 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | S7 | O10 | N8 | 121.0° | 122.9° |
| O9 | S7 | O10 | C6 | 124.5° | 123.0° |
| O9 | S7 | N8 | C6 | 123.2° | 113.5° |
| O9 | S7 | C6 | C2 | 59.2° | 23.8° |
| O9 | S7 | C6 | C5 | 128.0° | 156.4° |
| O9 | S7 | N8 | H1 | 180.0° | 113.5° |
| O9 | S7 | N8 | H2 | 60.0° | 66.4° |
| O10 | S7 | N8 | C6 | 119.1° | 113.6° |
| O10 | S7 | C6 | C2 | 61.6° | 156.7° |
| O10 | S7 | C6 | C5 | 111.2° | 23.5° |
| O10 | S7 | N8 | H1 | 62.3° | 113.6° |
| O10 | S7 | N8 | H2 | 177.7° | 66.5° |
| C16 | C15 | C18 | C1 | 120.1° | 120.0° |
| C16 | C15 | C18 | C17 | 107.1° | 120.0° |
| C16 | C15 | C1 | C2 | 72.7° | 120.0° |
| C16 | C15 | C1 | C17 | 115.4° | 120.1° |
| C16 | C15 | C1 | C3 | 110.8° | 60.0° |
| C16 | C15 | C18 | H15 | 180.0° | 180.0° |
| C16 | C15 | C18 | H16 | 60.0° | 60.0° |
| C16 | C15 | C18 | H17 | 60.0° | 60.0° |
| C16 | C15 | C17 | H18 | 180.0° | 60.0° |
| C16 | C15 | C17 | H19 | 60.0° | 60.0° |
| C16 | C15 | C17 | H20 | 60.0° | 180.0° |
| C15 | C16 | H21 | H22 | 120.0° | 120.0° |
| C15 | C16 | H21 | H23 | 120.0° | 120.0° |
| C15 | C16 | H22 | H23 | 120.0° | 120.0° |
| C18 | C15 | C1 | C2 | 39.9° | 120.0° |
| C18 | C15 | C1 | C17 | 132.0° | 120.0° |
| C18 | C15 | C1 | C3 | 136.5° | 60.0° |
| C15 | C18 | H15 | H16 | 120.0° | 120.0° |
| C15 | C18 | H15 | H17 | 120.0° | 119.9° |
| C15 | C18 | H16 | H17 | 120.0° | 119.9° |
| C18 | C15 | C17 | H18 | 74.9° | 179.9° |
| C18 | C15 | C17 | H19 | 45.1° | 60.0° |
| C18 | C15 | C17 | H20 | 165.1° | 60.0° |
| C18 | C15 | C16 | H21 | 180.0° | 60.0° |
| C18 | C15 | C16 | H22 | 60.0° | 60.0° |
| C18 | C15 | C16 | H23 | 60.0° | 180.0° |
| N8 | S7 | C6 | C2 | 178.5° | 89.7° |
| N8 | S7 | C6 | C5 | 5.7° | 90.0° |
| S7 | N8 | H1 | H2 | 120.0° | 179.9° |
| S7 | C6 | C2 | C5 | 172.2° | 179.7° |
| S7 | C6 | C2 | C1 | 179.4° | 180.0° |
| S7 | C6 | C5 | C4 | 174.4° | 180.0° |
| C6 | S7 | N8 | H1 | 56.8° | 0.0° |
| C6 | S7 | N8 | H2 | 63.2° | 179.9° |
| S7 | C6 | C2 | H3 | 0.6° | 0.0° |
| S7 | C6 | C5 | H4 | 5.6° | 0.0° |
| C6 | C2 | C1 | H3 | 180.0° | 179.9° |
| C6 | C2 | C1 | C15 | 175.3° | 180.0° |
| C6 | C2 | C1 | C3 | 8.0° | 0.0° |
| C2 | C6 | C5 | C4 | 2.1° | 0.2° |
| C2 | C6 | C5 | H4 | 177.9° | 179.7° |
| C2 | C1 | C15 | C3 | 176.5° | 180.0° |
| C2 | C1 | C15 | C17 | 171.9° | 0.1° |
| C1 | C2 | C6 | C5 | 7.2° | 0.3° |
| C2 | C1 | C3 | C4 | 4.4° | 0.3° |
| C2 | C1 | C3 | H14 | 175.6° | 180.0° |
| C15 | C1 | C3 | C4 | 178.8° | 179.7° |
| C15 | C1 | C2 | H3 | 4.8° | 0.1° |
| C15 | C1 | C3 | H14 | 1.2° | 0.0° |
| C1 | C15 | C18 | H15 | 59.9° | 60.0° |
| C1 | C15 | C18 | H16 | 60.0° | 180.0° |
| C1 | C15 | C18 | H17 | 179.9° | 60.0° |
| C1 | C15 | C17 | H18 | 58.9° | 60.0° |
| C1 | C15 | C17 | H19 | 178.9° | 180.0° |
| C1 | C15 | C17 | H20 | 61.1° | 60.0° |
| C1 | C15 | C16 | H21 | 57.2° | 60.0° |
| C1 | C15 | C16 | H22 | 177.2° | 180.0° |
| C1 | C15 | C16 | H23 | 62.8° | 60.0° |
| C17 | C15 | C1 | C3 | 4.6° | 179.9° |
| C17 | C15 | C18 | H15 | 72.9° | 60.0° |
| C17 | C15 | C18 | H16 | 167.2° | 60.0° |
| C17 | C15 | C18 | H17 | 47.1° | 180.0° |
| C15 | C17 | H18 | H19 | 120.0° | 120.0° |
| C15 | C17 | H18 | H20 | 120.0° | 120.0° |
| C15 | C17 | H19 | H20 | 120.0° | 120.0° |
| C17 | C15 | C16 | H21 | 65.0° | 180.0° |
| C17 | C15 | C16 | H22 | 55.0° | 60.0° |
| C17 | C15 | C16 | H23 | 174.9° | 60.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 1.3° | 0.1° |
| C6 | C5 | C4 | C11 | 180.0° | 180.0° |
| C5 | C6 | C2 | H3 | 172.8° | 179.8° |
| C1 | C3 | C4 | C5 | 0.1° | 0.4° |
| C1 | C3 | C4 | H14 | 180.0° | 179.7° |
| C1 | C3 | C4 | C11 | 178.6° | 179.7° |
| C3 | C1 | C2 | H3 | 172.0° | 179.9° |
| C5 | C4 | C3 | C11 | 178.8° | 179.9° |
| C5 | C4 | C11 | C14 | 112.4° | 0.0° |
| C5 | C4 | C11 | C13 | 5.1° | 120.0° |
| C5 | C4 | C11 | C12 | 123.6° | 120.0° |
| C5 | C4 | C3 | H14 | 179.9° | 180.0° |
| C3 | C4 | C11 | C14 | 66.3° | 180.0° |
| C3 | C4 | C11 | C13 | 176.1° | 59.9° |
| C3 | C4 | C11 | C12 | 57.7° | 60.0° |
| C3 | C4 | C5 | H4 | 178.8° | 179.9° |
| C4 | C11 | C14 | C13 | 118.7° | 120.0° |
| C4 | C11 | C14 | C12 | 125.5° | 119.9° |
| C4 | C11 | C13 | C12 | 122.0° | 119.9° |
| C11 | C4 | C5 | H4 | 0.0° | 0.0° |
| C4 | C11 | C14 | H5 | 180.0° | 60.1° |
| C4 | C11 | C14 | H6 | 60.0° | 180.0° |
| C4 | C11 | C14 | H7 | 60.0° | 60.0° |
| C4 | C11 | C13 | H8 | 180.0° | 59.9° |
| C4 | C11 | C13 | H9 | 60.0° | 180.0° |
| C4 | C11 | C13 | H10 | 60.0° | 60.1° |
| C4 | C11 | C12 | H11 | 180.0° | 60.1° |
| C4 | C11 | C12 | H12 | 60.0° | 180.0° |
| C4 | C11 | C12 | H13 | 60.0° | 60.0° |
| C11 | C4 | C3 | H14 | 1.3° | 0.0° |
| C14 | C11 | C13 | C12 | 117.9° | 120.0° |
| C11 | C14 | H5 | H6 | 120.0° | 120.0° |
| C11 | C14 | H5 | H7 | 120.0° | 120.0° |
| C11 | C14 | H6 | H7 | 120.0° | 120.0° |
| C14 | C11 | C13 | H8 | 59.9° | 180.0° |
| C14 | C11 | C13 | H9 | 60.1° | 60.0° |
| C14 | C11 | C13 | H10 | 179.9° | 60.0° |
| C14 | C11 | C12 | H11 | 55.4° | 59.9° |
| C14 | C11 | C12 | H12 | 175.5° | 60.0° |
| C14 | C11 | C12 | H13 | 64.6° | 180.0° |
| C13 | C11 | C14 | H5 | 61.3° | 60.0° |
| C13 | C11 | C14 | H6 | 178.7° | 60.0° |
| C13 | C11 | C14 | H7 | 58.8° | 180.0° |
| C11 | C13 | H8 | H9 | 120.0° | 120.0° |
| C11 | C13 | H8 | H10 | 120.0° | 120.0° |
| C11 | C13 | H9 | H10 | 120.0° | 120.0° |
| C13 | C11 | C12 | H11 | 60.4° | 180.0° |
| C13 | C11 | C12 | H12 | 59.6° | 60.0° |
| C13 | C11 | C12 | H13 | 179.6° | 60.0° |
| C12 | C11 | C14 | H5 | 54.5° | 180.0° |
| C12 | C11 | C14 | H6 | 65.5° | 60.0° |
| C12 | C11 | C14 | H7 | 174.5° | 60.0° |
| C12 | C11 | C13 | H8 | 58.0° | 60.0° |
| C12 | C11 | C13 | H9 | 178.0° | 60.0° |
| C12 | C11 | C13 | H10 | 62.0° | 180.0° |
| C11 | C12 | H11 | H12 | 120.0° | 119.9° |
| C11 | C12 | H11 | H13 | 120.0° | 120.1° |
| C11 | C12 | H12 | H13 | 120.0° | 120.0° |
| H5 | C14 | H6 | H7 | 120.0° | 120.0° |
| H8 | C13 | H9 | H10 | 120.0° | 120.0° |
| H11 | C12 | H12 | H13 | 120.0° | 120.1° |
| H15 | C18 | H16 | H17 | 120.0° | 120.1° |
| H18 | C17 | H19 | H20 | 120.0° | 119.9° |
| H21 | C16 | H22 | H23 | 120.0° | 120.0° |
