VV8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | S26 | doub | 1.42Å | 1.44Å | |
| O27 | S26 | doub | 1.42Å | 1.47Å | |
| C29 | S26 | sing | 1.81Å | 1.67Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| S26 | C10 | sing | 1.76Å | 1.63Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| F15 | C11 | sing | 1.35Å | 1.33Å | |
| C10 | C11 | doub | 1.38Å | 1.48Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.51Å | Aromatic |
| N16 | C9 | sing | 1.40Å | 1.35Å | |
| N16 | C18 | sing | 1.47Å | 1.44Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.39Å | 1.47Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.49Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C18 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C12 | F13 | sing | 1.35Å | 1.32Å | |
| C12 | C7 | doub | 1.38Å | 1.48Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.48Å | Aromatic |
| C8 | F14 | sing | 1.35Å | 1.33Å | |
| C7 | S1 | sing | 1.76Å | 1.63Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| S1 | N4 | sing | 1.66Å | 1.58Å | |
| S1 | O3 | doub | 1.42Å | 1.43Å | |
| C30 | H1 | sing | 1.09Å | 1.10Å | |
| C30 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H3 | sing | 1.09Å | 1.10Å | |
| C29 | H4 | sing | 1.09Å | 1.10Å | |
| C29 | H5 | sing | 1.09Å | 1.10Å | |
| N4 | H6 | sing | 0.97Å | 1.00Å | |
| N4 | H7 | sing | 0.97Å | 1.00Å | |
| N16 | H8 | sing | 1.01Å | 1.00Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | S26 | O27 | 109.8° | 121.1° |
| O28 | S26 | C29 | 119.5° | 110.5° |
| O28 | S26 | C10 | 110.4° | 104.2° |
| O27 | S26 | C29 | 103.1° | 110.5° |
| O27 | S26 | C10 | 107.5° | 104.3° |
| S26 | C29 | C30 | 113.4° | 109.4° |
| C29 | S26 | C10 | 105.7° | 104.4° |
| S26 | C29 | H4 | 108.5° | 109.5° |
| S26 | C29 | H5 | 108.5° | 109.5° |
| C29 | C30 | H1 | 109.5° | 109.5° |
| C29 | C30 | H2 | 109.5° | 109.5° |
| C29 | C30 | H3 | 109.5° | 109.5° |
| C30 | C29 | H4 | 108.5° | 109.5° |
| C30 | C29 | H5 | 108.5° | 109.5° |
| S26 | C10 | C11 | 117.9° | 120.0° |
| S26 | C10 | C9 | 124.6° | 120.0° |
| C20 | C19 | C18 | 113.9° | 109.4° |
| C19 | C20 | C21 | 112.7° | 109.6° |
| C19 | C20 | H20 | 108.7° | 109.5° |
| C19 | C20 | H21 | 108.7° | 109.5° |
| C20 | C19 | H22 | 108.4° | 109.5° |
| C20 | C19 | H23 | 108.3° | 109.4° |
| C19 | C18 | N16 | 107.8° | 109.5° |
| C19 | C18 | C25 | 109.6° | 109.5° |
| C19 | C18 | H9 | 110.0° | 109.5° |
| C18 | C19 | H22 | 108.4° | 109.5° |
| C18 | C19 | H23 | 108.4° | 109.4° |
| F15 | C11 | C10 | 121.7° | 120.0° |
| F15 | C11 | C12 | 117.0° | 120.0° |
| C11 | C10 | C9 | 117.5° | 119.9° |
| C10 | C11 | C12 | 121.3° | 120.0° |
| C10 | C9 | N16 | 117.6° | 120.0° |
| C10 | C9 | C8 | 120.1° | 119.9° |
| C9 | N16 | C18 | 126.8° | 111.0° |
| N16 | C9 | C8 | 122.2° | 120.0° |
| C9 | N16 | H8 | 105.0° | 111.0° |
| N16 | C18 | C25 | 107.8° | 109.4° |
| C18 | N16 | H8 | 105.0° | 111.0° |
| N16 | C18 | H9 | 111.3° | 109.5° |
| C20 | C21 | C22 | 112.7° | 109.5° |
| C20 | C21 | H18 | 108.6° | 109.4° |
| C20 | C21 | H19 | 108.7° | 109.5° |
| C21 | C20 | H20 | 108.7° | 109.4° |
| C21 | C20 | H21 | 108.7° | 109.5° |
| C11 | C12 | F13 | 117.1° | 119.9° |
| C11 | C12 | C7 | 121.6° | 120.1° |
| C9 | C8 | C7 | 121.0° | 119.9° |
| C9 | C8 | F14 | 120.3° | 120.1° |
| C21 | C22 | C23 | 111.4° | 109.4° |
| C21 | C22 | H16 | 109.0° | 109.5° |
| C21 | C22 | H17 | 109.0° | 109.5° |
| C22 | C21 | H18 | 108.7° | 109.5° |
| C22 | C21 | H19 | 108.7° | 109.5° |
| C18 | C25 | C24 | 111.6° | 109.4° |
| C25 | C18 | H9 | 110.2° | 109.5° |
| C18 | C25 | H10 | 108.9° | 109.5° |
| C18 | C25 | H11 | 108.9° | 109.5° |
| C25 | C24 | C23 | 113.1° | 109.5° |
| C24 | C25 | H10 | 108.9° | 109.4° |
| C24 | C25 | H11 | 108.9° | 109.4° |
| C25 | C24 | H12 | 108.5° | 109.5° |
| C25 | C24 | H13 | 108.5° | 109.5° |
| C22 | C23 | C24 | 110.8° | 109.5° |
| C22 | C23 | H14 | 109.1° | 109.5° |
| C22 | C23 | H15 | 109.1° | 109.5° |
| C23 | C22 | H16 | 109.0° | 109.5° |
| C23 | C22 | H17 | 109.0° | 109.5° |
| C23 | C24 | H12 | 108.6° | 109.5° |
| C23 | C24 | H13 | 108.5° | 109.5° |
| C24 | C23 | H14 | 109.1° | 109.5° |
| C24 | C23 | H15 | 109.1° | 109.4° |
| F13 | C12 | C7 | 121.3° | 120.0° |
| C12 | C7 | C8 | 118.0° | 120.1° |
| C12 | C7 | S1 | 117.3° | 120.0° |
| C7 | C8 | F14 | 118.4° | 120.0° |
| C8 | C7 | S1 | 122.4° | 120.0° |
| C7 | S1 | O2 | 106.3° | 106.4° |
| C7 | S1 | N4 | 112.8° | 107.2° |
| C7 | S1 | O3 | 110.0° | 106.4° |
| O2 | S1 | N4 | 108.8° | 106.4° |
| O2 | S1 | O3 | 111.1° | 123.1° |
| N4 | S1 | O3 | 107.8° | 106.4° |
| S1 | N4 | H6 | 109.5° | 120.0° |
| S1 | N4 | H7 | 109.5° | 120.0° |
| H1 | C30 | H2 | 109.5° | 109.5° |
| H1 | C30 | H3 | 109.4° | 109.4° |
| H2 | C30 | H3 | 109.4° | 109.5° |
| H4 | C29 | H5 | 109.5° | 109.5° |
| H6 | N4 | H7 | 109.5° | 120.1° |
| H10 | C25 | H11 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | S26 | O27 | C29 | 128.4° | 131.6° |
| O28 | S26 | O27 | C10 | 120.1° | 116.7° |
| O28 | S26 | C29 | C10 | 125.2° | 111.6° |
| O28 | S26 | C29 | C30 | 39.5° | 63.6° |
| O28 | S26 | C10 | C11 | 26.6° | 142.3° |
| O28 | S26 | C10 | C9 | 152.8° | 37.4° |
| O28 | S26 | C29 | H4 | 81.1° | 56.4° |
| O28 | S26 | C29 | H5 | 160.0° | 176.4° |
| O27 | S26 | C29 | C10 | 112.7° | 111.6° |
| O27 | S26 | C29 | C30 | 161.6° | 73.2° |
| O27 | S26 | C10 | C11 | 146.4° | 14.4° |
| O27 | S26 | C10 | C9 | 33.1° | 165.3° |
| O27 | S26 | C29 | H4 | 41.0° | 166.8° |
| O27 | S26 | C29 | H5 | 77.9° | 46.8° |
| S26 | C29 | C30 | H4 | 120.6° | 120.0° |
| S26 | C29 | C30 | H5 | 120.6° | 120.0° |
| C29 | S26 | C10 | C11 | 104.0° | 101.7° |
| C29 | S26 | C10 | C9 | 76.5° | 78.6° |
| S26 | C29 | C30 | H1 | 180.0° | 180.0° |
| S26 | C29 | C30 | H2 | 60.0° | 60.0° |
| S26 | C29 | C30 | H3 | 60.0° | 60.0° |
| S26 | C29 | H4 | H5 | 118.2° | 120.0° |
| C30 | C29 | S26 | C10 | 85.7° | 175.2° |
| C29 | C30 | H1 | H2 | 120.0° | 120.0° |
| C29 | C30 | H1 | H3 | 120.0° | 120.1° |
| C29 | C30 | H2 | H3 | 120.0° | 120.1° |
| C30 | C29 | H4 | H5 | 118.2° | 120.0° |
| S26 | C10 | C11 | F15 | 1.6° | 0.1° |
| S26 | C10 | C11 | C9 | 179.5° | 179.7° |
| S26 | C10 | C9 | N16 | 0.6° | 0.0° |
| S26 | C10 | C11 | C12 | 178.2° | 180.0° |
| S26 | C10 | C9 | C8 | 176.5° | 179.8° |
| C10 | S26 | C29 | H4 | 153.7° | 55.2° |
| C10 | S26 | C29 | H5 | 34.8° | 64.8° |
| C20 | C19 | C18 | H22 | 120.6° | 120.0° |
| C20 | C19 | C18 | H23 | 120.6° | 119.9° |
| C20 | C19 | C18 | N16 | 137.6° | 164.0° |
| C19 | C20 | C21 | H20 | 120.5° | 120.1° |
| C19 | C20 | C21 | H21 | 120.5° | 120.0° |
| C19 | C20 | C21 | C22 | 78.7° | 112.9° |
| C20 | C19 | C18 | C25 | 105.3° | 76.0° |
| C20 | C19 | C18 | H9 | 16.0° | 44.0° |
| C19 | C20 | C21 | H18 | 41.8° | 7.0° |
| C19 | C20 | C21 | H19 | 160.8° | 127.1° |
| C19 | C20 | H20 | H21 | 118.5° | 119.9° |
| C20 | C19 | H22 | H23 | 118.0° | 120.0° |
| C19 | C18 | N16 | C9 | 166.9° | 85.5° |
| C19 | C18 | N16 | C25 | 118.2° | 120.0° |
| C19 | C18 | N16 | H9 | 120.8° | 120.0° |
| C18 | C19 | C20 | C21 | 100.1° | 44.0° |
| C19 | C18 | C25 | H9 | 121.2° | 120.1° |
| C19 | C18 | C25 | C24 | 84.3° | 76.0° |
| C19 | C18 | N16 | H8 | 70.8° | 150.6° |
| C19 | C18 | C25 | H10 | 155.4° | 164.0° |
| C19 | C18 | C25 | H11 | 36.0° | 44.0° |
| C18 | C19 | C20 | H20 | 139.4° | 164.0° |
| C18 | C19 | C20 | H21 | 20.4° | 76.1° |
| C18 | C19 | H22 | H23 | 118.0° | 120.0° |
| F15 | C11 | C10 | C12 | 179.8° | 180.0° |
| F15 | C11 | C10 | C9 | 178.9° | 179.8° |
| F15 | C11 | C12 | F13 | 0.4° | 0.1° |
| F15 | C11 | C12 | C7 | 176.5° | 180.0° |
| C11 | C10 | C9 | N16 | 178.8° | 179.7° |
| C11 | C10 | C9 | C8 | 3.0° | 0.5° |
| C10 | C11 | C12 | F13 | 179.5° | 180.0° |
| C10 | C11 | C12 | C7 | 3.7° | 0.0° |
| C10 | C9 | N16 | C8 | 175.7° | 179.8° |
| C10 | C9 | N16 | C18 | 156.9° | 92.0° |
| C9 | C10 | C11 | C12 | 1.3° | 0.3° |
| C10 | C9 | C8 | C7 | 7.1° | 0.5° |
| C10 | C9 | C8 | F14 | 178.8° | 180.0° |
| C10 | C9 | N16 | H8 | 34.6° | 32.0° |
| C9 | N16 | C18 | H8 | 122.3° | 124.0° |
| C9 | N16 | C18 | C25 | 74.9° | 154.6° |
| N16 | C9 | C8 | C7 | 177.2° | 179.7° |
| N16 | C9 | C8 | F14 | 3.2° | 0.2° |
| C9 | N16 | C18 | H9 | 46.1° | 34.6° |
| C18 | N16 | C9 | C8 | 27.4° | 88.2° |
| N16 | C18 | C25 | H9 | 121.7° | 120.0° |
| N16 | C18 | C25 | C24 | 158.7° | 164.1° |
| N16 | C18 | C25 | H10 | 38.3° | 44.1° |
| N16 | C18 | C25 | H11 | 81.0° | 76.0° |
| N16 | C18 | C19 | H22 | 17.0° | 76.0° |
| N16 | C18 | C19 | H23 | 101.7° | 44.1° |
| C20 | C21 | C22 | H18 | 120.5° | 119.9° |
| C20 | C21 | C22 | H19 | 120.5° | 120.1° |
| C20 | C21 | C22 | C23 | 84.7° | 75.9° |
| C20 | C21 | C22 | H16 | 155.0° | 164.1° |
| C20 | C21 | C22 | H17 | 35.6° | 44.0° |
| C20 | C21 | H18 | H19 | 118.5° | 120.0° |
| C21 | C20 | H20 | H21 | 118.5° | 119.9° |
| C21 | C20 | C19 | H22 | 139.3° | 164.0° |
| C21 | C20 | C19 | H23 | 20.6° | 75.9° |
| C11 | C12 | F13 | C7 | 176.9° | 179.9° |
| C11 | C12 | C7 | C8 | 7.5° | 0.1° |
| C11 | C12 | C7 | S1 | 171.0° | 180.0° |
| C9 | C8 | C7 | C12 | 9.2° | 0.3° |
| C9 | C8 | C7 | F14 | 174.2° | 179.4° |
| C9 | C8 | C7 | S1 | 171.8° | 179.7° |
| C8 | C9 | N16 | H8 | 149.7° | 147.8° |
| C21 | C22 | C23 | H16 | 120.3° | 120.0° |
| C21 | C22 | C23 | H17 | 120.3° | 120.0° |
| C21 | C22 | C23 | C24 | 104.7° | 76.0° |
| C21 | C22 | C23 | H14 | 15.5° | 44.0° |
| C21 | C22 | C23 | H15 | 135.1° | 164.1° |
| C21 | C22 | H16 | H17 | 119.1° | 120.0° |
| C22 | C21 | H18 | H19 | 118.6° | 120.0° |
| C22 | C21 | C20 | H20 | 160.8° | 127.0° |
| C22 | C21 | C20 | H21 | 41.8° | 7.1° |
| C18 | C25 | C24 | H10 | 120.3° | 120.0° |
| C18 | C25 | C24 | H11 | 120.3° | 120.0° |
| C18 | C25 | C24 | C23 | 83.3° | 44.0° |
| C25 | C18 | N16 | H8 | 47.4° | 30.6° |
| C18 | C25 | H10 | H11 | 119.0° | 120.1° |
| C18 | C25 | C24 | H12 | 37.3° | 164.0° |
| C18 | C25 | C24 | H13 | 156.2° | 76.0° |
| C25 | C18 | C19 | H22 | 134.0° | 44.0° |
| C25 | C18 | C19 | H23 | 15.3° | 164.1° |
| C25 | C24 | C23 | C22 | 101.3° | 113.0° |
| C25 | C24 | C23 | H12 | 120.5° | 120.0° |
| C25 | C24 | C23 | H13 | 120.5° | 120.0° |
| C24 | C25 | C18 | H9 | 37.0° | 44.1° |
| C24 | C25 | H10 | H11 | 119.0° | 120.0° |
| C25 | C24 | H12 | H13 | 118.4° | 120.0° |
| C25 | C24 | C23 | H14 | 18.8° | 7.1° |
| C25 | C24 | C23 | H15 | 138.5° | 127.1° |
| C22 | C23 | C24 | H14 | 120.2° | 120.1° |
| C22 | C23 | C24 | H15 | 120.2° | 120.0° |
| C22 | C23 | C24 | H12 | 19.2° | 127.1° |
| C22 | C23 | C24 | H13 | 138.1° | 7.0° |
| C22 | C23 | H14 | H15 | 119.4° | 120.0° |
| C23 | C22 | H16 | H17 | 119.1° | 120.0° |
| C23 | C22 | C21 | H18 | 35.8° | 44.0° |
| C23 | C22 | C21 | H19 | 154.8° | 164.0° |
| C23 | C24 | C25 | H10 | 156.4° | 76.0° |
| C23 | C24 | C25 | H11 | 37.0° | 164.0° |
| C23 | C24 | H12 | H13 | 118.3° | 120.0° |
| C24 | C23 | H14 | H15 | 119.4° | 120.0° |
| C24 | C23 | C22 | H16 | 135.0° | 164.0° |
| C24 | C23 | C22 | H17 | 15.6° | 44.0° |
| F13 | C12 | C7 | C8 | 175.8° | 180.0° |
| F13 | C12 | C7 | S1 | 12.3° | 0.0° |
| C12 | C7 | C8 | S1 | 162.6° | 180.0° |
| C12 | C7 | C8 | F14 | 176.6° | 179.8° |
| C12 | C7 | S1 | O2 | 128.4° | 156.4° |
| C12 | C7 | S1 | N4 | 9.2° | 90.0° |
| C12 | C7 | S1 | O3 | 111.2° | 23.5° |
| C8 | C7 | S1 | O2 | 34.3° | 23.5° |
| C8 | C7 | S1 | N4 | 153.6° | 90.0° |
| C8 | C7 | S1 | O3 | 86.0° | 156.4° |
| F14 | C8 | C7 | S1 | 14.0° | 0.3° |
| C7 | S1 | O2 | N4 | 121.8° | 114.1° |
| C7 | S1 | O2 | O3 | 119.7° | 123.0° |
| C7 | S1 | N4 | O3 | 121.7° | 113.6° |
| C7 | S1 | N4 | H6 | 180.0° | 150.0° |
| C7 | S1 | N4 | H7 | 60.0° | 30.0° |
| O2 | S1 | N4 | O3 | 120.6° | 132.9° |
| O2 | S1 | N4 | H6 | 62.3° | 36.4° |
| O2 | S1 | N4 | H7 | 57.7° | 143.6° |
| S1 | N4 | H6 | H7 | 120.0° | 180.0° |
| O3 | S1 | N4 | H6 | 58.3° | 96.5° |
| O3 | S1 | N4 | H7 | 178.4° | 83.5° |
| H1 | C30 | H2 | H3 | 119.9° | 119.9° |
| H1 | C30 | C29 | H4 | 59.4° | 60.0° |
| H1 | C30 | C29 | H5 | 59.4° | 60.0° |
| H2 | C30 | C29 | H4 | 179.4° | 60.0° |
| H2 | C30 | C29 | H5 | 60.6° | 180.0° |
| H3 | C30 | C29 | H4 | 60.6° | 180.0° |
| H3 | C30 | C29 | H5 | 179.4° | 60.0° |
| H8 | N16 | C18 | H9 | 168.4° | 89.4° |
| H9 | C18 | C25 | H10 | 83.4° | 75.9° |
| H9 | C18 | C25 | H11 | 157.3° | 164.0° |
| H9 | C18 | C19 | H22 | 104.6° | 164.0° |
| H9 | C18 | C19 | H23 | 136.6° | 75.9° |
| H10 | C25 | C24 | H12 | 83.1° | 44.0° |
| H10 | C25 | C24 | H13 | 35.9° | 164.0° |
| H11 | C25 | C24 | H12 | 157.6° | 76.0° |
| H11 | C25 | C24 | H13 | 83.5° | 44.0° |
| H12 | C24 | C23 | H14 | 139.3° | 112.9° |
| H12 | C24 | C23 | H15 | 101.0° | 7.1° |
| H13 | C24 | C23 | H14 | 101.7° | 127.1° |
| H13 | C24 | C23 | H15 | 18.0° | 112.9° |
| H14 | C23 | C22 | H16 | 104.8° | 75.9° |
| H14 | C23 | C22 | H17 | 135.8° | 164.0° |
| H15 | C23 | C22 | H16 | 14.8° | 44.1° |
| H15 | C23 | C22 | H17 | 104.6° | 75.9° |
| H16 | C22 | C21 | H18 | 84.5° | 76.0° |
| H16 | C22 | C21 | H19 | 34.5° | 44.0° |
| H17 | C22 | C21 | H18 | 156.1° | 164.0° |
| H17 | C22 | C21 | H19 | 84.9° | 76.0° |
| H18 | C21 | C20 | H20 | 78.7° | 113.0° |
| H18 | C21 | C20 | H21 | 162.3° | 127.1° |
| H19 | C21 | C20 | H20 | 40.3° | 7.0° |
| H19 | C21 | C20 | H21 | 78.7° | 112.9° |
| H20 | C20 | C19 | H22 | 18.7° | 75.9° |
| H20 | C20 | C19 | H23 | 100.0° | 44.1° |
| H21 | C20 | C19 | H22 | 100.3° | 44.0° |
| H21 | C20 | C19 | H23 | 141.0° | 164.0° |
