VL0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.21Å | 1.25Å | |
| C1 | O1 | sing | 1.35Å | 1.26Å | |
| C1 | C2 | sing | 1.47Å | 1.48Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| O4 | S1 | doub | 1.42Å | 1.43Å | |
| O5 | S1 | doub | 1.42Å | 1.43Å | |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| S1 | C4 | sing | 1.76Å | 1.76Å | |
| S1 | N1 | sing | 1.66Å | 1.63Å | |
| C20 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | O3 | sing | 1.36Å | 1.36Å | |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| N1 | C8 | sing | 1.40Å | 1.42Å | |
| C13 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C14 | sing | 1.51Å | 1.51Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O1 | 124.5° | 120.0° |
| O2 | C1 | C2 | 117.3° | 120.0° |
| O1 | C1 | C2 | 118.1° | 120.0° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| C1 | C2 | C3 | 120.3° | 120.2° |
| C1 | C2 | C7 | 120.2° | 120.2° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C19 | C18 | C17 | 119.7° | 120.0° |
| C19 | C18 | H15 | 120.2° | 120.0° |
| C18 | C19 | H16 | 119.9° | 120.0° |
| C19 | C20 | C15 | 120.8° | 120.0° |
| C20 | C19 | H16 | 119.9° | 120.0° |
| C19 | C20 | H17 | 119.6° | 120.0° |
| C18 | C17 | C16 | 120.1° | 120.0° |
| C18 | C17 | H14 | 119.9° | 119.9° |
| C17 | C18 | H15 | 120.2° | 120.1° |
| O4 | S1 | O5 | 119.0° | 123.1° |
| O4 | S1 | C4 | 108.4° | 106.4° |
| O4 | S1 | N1 | 107.8° | 106.4° |
| O5 | S1 | C4 | 107.9° | 106.4° |
| O5 | S1 | N1 | 107.1° | 106.4° |
| C2 | C3 | C4 | 119.6° | 120.0° |
| C3 | C2 | C7 | 119.5° | 119.6° |
| C2 | C3 | H2 | 120.2° | 120.0° |
| C3 | C4 | S1 | 120.1° | 119.9° |
| C3 | C4 | C5 | 120.6° | 120.3° |
| C4 | C3 | H2 | 120.2° | 120.0° |
| C2 | C7 | O3 | 121.6° | 120.1° |
| C2 | C7 | C6 | 120.2° | 119.7° |
| C4 | S1 | N1 | 105.9° | 107.2° |
| S1 | C4 | C5 | 119.4° | 119.9° |
| S1 | N1 | C8 | 122.1° | 120.0° |
| S1 | N1 | H6 | 106.2° | 120.0° |
| C20 | C15 | C16 | 118.0° | 120.0° |
| C20 | C15 | C14 | 121.5° | 120.0° |
| C15 | C20 | H17 | 119.6° | 120.0° |
| C17 | C16 | C15 | 121.1° | 120.0° |
| C17 | C16 | H13 | 119.5° | 120.0° |
| C16 | C17 | H14 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.4° | 120.4° |
| C4 | C5 | H3 | 119.8° | 119.8° |
| O3 | C7 | C6 | 118.2° | 120.2° |
| C7 | O3 | H5 | 109.5° | 114.0° |
| C7 | C6 | C5 | 119.7° | 120.1° |
| C7 | C6 | H4 | 120.1° | 120.0° |
| C16 | C15 | C14 | 120.4° | 120.0° |
| C15 | C16 | H13 | 119.5° | 120.0° |
| C15 | C14 | C11 | 110.8° | 109.5° |
| C15 | C14 | H11 | 109.1° | 109.5° |
| C15 | C14 | H12 | 109.1° | 109.4° |
| N1 | C8 | C13 | 119.6° | 120.0° |
| N1 | C8 | C9 | 120.1° | 120.1° |
| C8 | N1 | H6 | 106.2° | 120.0° |
| C8 | C13 | C12 | 119.5° | 119.9° |
| C13 | C8 | C9 | 120.3° | 119.8° |
| C8 | C13 | H10 | 120.3° | 120.0° |
| C13 | C12 | C11 | 121.1° | 120.1° |
| C13 | C12 | H9 | 119.4° | 120.0° |
| C12 | C13 | H10 | 120.2° | 120.0° |
| C6 | C5 | H3 | 119.8° | 119.8° |
| C5 | C6 | H4 | 120.1° | 119.9° |
| C8 | C9 | C10 | 119.4° | 120.0° |
| C8 | C9 | H7 | 120.3° | 120.0° |
| C12 | C11 | C10 | 118.4° | 120.2° |
| C12 | C11 | C14 | 120.5° | 119.9° |
| C11 | C12 | H9 | 119.4° | 120.0° |
| C9 | C10 | C11 | 121.2° | 120.1° |
| C10 | C9 | H7 | 120.3° | 120.0° |
| C9 | C10 | H8 | 119.4° | 120.0° |
| C10 | C11 | C14 | 121.0° | 119.9° |
| C11 | C10 | H8 | 119.4° | 120.0° |
| C11 | C14 | H11 | 109.2° | 109.5° |
| C11 | C14 | H12 | 109.2° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O1 | C2 | 178.8° | 179.9° |
| O2 | C1 | C2 | C3 | 89.8° | 179.7° |
| O2 | C1 | C2 | C7 | 90.1° | 0.1° |
| O2 | C1 | O1 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | C3 | 91.3° | 0.2° |
| O1 | C1 | C2 | C7 | 88.8° | 180.0° |
| C1 | C2 | C3 | C7 | 179.9° | 179.8° |
| C1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C1 | C2 | C7 | O3 | 0.6° | 0.0° |
| C1 | C2 | C7 | C6 | 179.5° | 179.7° |
| C2 | C1 | O1 | H1 | 178.8° | 180.0° |
| C1 | C2 | C3 | H2 | 0.0° | 0.0° |
| C18 | C19 | C20 | H16 | 180.0° | 179.8° |
| C19 | C18 | C17 | H15 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 0.4° | 0.5° |
| C19 | C18 | C17 | C16 | 0.2° | 0.0° |
| C19 | C18 | C17 | H14 | 179.8° | 180.0° |
| C18 | C19 | C20 | H17 | 179.6° | 180.0° |
| C20 | C19 | C18 | C17 | 0.4° | 0.3° |
| C19 | C20 | C15 | H17 | 180.0° | 179.5° |
| C19 | C20 | C15 | C16 | 0.2° | 0.5° |
| C19 | C20 | C15 | C14 | 178.2° | 179.7° |
| C20 | C19 | C18 | H15 | 179.6° | 179.8° |
| C18 | C17 | C16 | H14 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.0° | 0.0° |
| C18 | C17 | C16 | H13 | 180.0° | 180.0° |
| C17 | C18 | C19 | H16 | 179.6° | 180.0° |
| O4 | S1 | O5 | C4 | 124.0° | 122.9° |
| O4 | S1 | O5 | N1 | 122.4° | 123.0° |
| O4 | S1 | C4 | C3 | 38.5° | 151.0° |
| O4 | S1 | C4 | N1 | 115.4° | 113.6° |
| O4 | S1 | C4 | C5 | 142.2° | 29.0° |
| O4 | S1 | N1 | C8 | 6.9° | 176.4° |
| O4 | S1 | N1 | H6 | 114.8° | 3.6° |
| O5 | S1 | C4 | C3 | 91.7° | 18.1° |
| O5 | S1 | C4 | N1 | 114.4° | 113.5° |
| O5 | S1 | C4 | C5 | 87.6° | 161.8° |
| O5 | S1 | N1 | C8 | 136.1° | 50.7° |
| O5 | S1 | N1 | H6 | 14.4° | 129.3° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | S1 | 179.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C7 | O3 | 179.2° | 179.8° |
| C3 | C2 | C7 | C6 | 0.3° | 0.5° |
| C4 | C3 | C2 | C7 | 0.1° | 0.3° |
| C3 | C4 | S1 | C5 | 179.4° | 180.0° |
| C3 | C4 | S1 | N1 | 153.9° | 95.4° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C2 | C7 | O3 | C6 | 178.9° | 179.7° |
| C2 | C7 | C6 | C5 | 0.6° | 0.6° |
| C7 | C2 | C3 | H2 | 179.9° | 179.8° |
| C2 | C7 | C6 | H4 | 179.4° | 179.7° |
| C2 | C7 | O3 | H5 | 180.0° | 90.0° |
| C4 | S1 | N1 | C8 | 108.9° | 62.8° |
| S1 | C4 | C5 | C6 | 179.3° | 180.0° |
| S1 | C4 | C3 | H2 | 0.4° | 0.0° |
| S1 | C4 | C5 | H3 | 0.7° | 0.1° |
| C4 | S1 | N1 | H6 | 129.3° | 117.2° |
| N1 | S1 | C4 | C5 | 26.8° | 84.6° |
| S1 | N1 | C8 | H6 | 121.7° | 180.0° |
| S1 | N1 | C8 | C13 | 94.4° | 75.6° |
| S1 | N1 | C8 | C9 | 82.5° | 104.8° |
| C20 | C15 | C16 | C17 | 0.0° | 0.2° |
| C20 | C15 | C16 | C14 | 178.4° | 179.8° |
| C20 | C15 | C14 | C11 | 2.6° | 90.2° |
| C20 | C15 | C14 | H11 | 122.8° | 149.7° |
| C20 | C15 | C14 | H12 | 117.6° | 29.8° |
| C20 | C15 | C16 | H13 | 180.0° | 179.8° |
| C15 | C20 | C19 | H16 | 179.6° | 179.7° |
| C17 | C16 | C15 | H13 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 178.4° | 180.0° |
| C16 | C17 | C18 | H15 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.3° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | H2 | 179.8° | 180.0° |
| C4 | C5 | C6 | H4 | 179.5° | 180.0° |
| O3 | C7 | C6 | C5 | 179.5° | 179.8° |
| O3 | C7 | C6 | H4 | 0.4° | 0.0° |
| C7 | C6 | C5 | H4 | 180.0° | 179.7° |
| C7 | C6 | C5 | H3 | 179.5° | 179.8° |
| C6 | C7 | O3 | H5 | 1.1° | 89.6° |
| C16 | C15 | C14 | C11 | 179.0° | 90.0° |
| C16 | C15 | C14 | H11 | 58.9° | 30.1° |
| C16 | C15 | C14 | H12 | 60.8° | 150.0° |
| C15 | C16 | C17 | H14 | 180.0° | 180.0° |
| C16 | C15 | C20 | H17 | 179.8° | 180.0° |
| C15 | C14 | C11 | C12 | 64.3° | 90.0° |
| C15 | C14 | C11 | C10 | 112.1° | 89.9° |
| C15 | C14 | C11 | H11 | 120.2° | 120.0° |
| C15 | C14 | C11 | H12 | 120.2° | 120.0° |
| C15 | C14 | H11 | H12 | 119.4° | 119.9° |
| C14 | C15 | C16 | H13 | 1.6° | 0.1° |
| C14 | C15 | C20 | H17 | 1.8° | 0.2° |
| N1 | C8 | C13 | C9 | 177.0° | 179.7° |
| N1 | C8 | C13 | C12 | 178.4° | 179.8° |
| N1 | C8 | C9 | C10 | 177.8° | 179.9° |
| N1 | C8 | C9 | H7 | 2.2° | 0.1° |
| N1 | C8 | C13 | H10 | 1.6° | 0.0° |
| C8 | C13 | C12 | H10 | 180.0° | 179.8° |
| C8 | C13 | C12 | C11 | 0.5° | 0.5° |
| C13 | C8 | C9 | C10 | 0.9° | 0.3° |
| C13 | C8 | N1 | H6 | 27.3° | 104.5° |
| C13 | C8 | C9 | H7 | 179.1° | 179.8° |
| C8 | C13 | C12 | H9 | 179.5° | 179.7° |
| C12 | C13 | C8 | C9 | 1.4° | 0.5° |
| C13 | C12 | C11 | H9 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.9° | 0.1° |
| C13 | C12 | C11 | C14 | 177.4° | 179.8° |
| C8 | C9 | C10 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.6° | 0.0° |
| C9 | C8 | N1 | H6 | 155.7° | 75.2° |
| C8 | C9 | C10 | H8 | 179.4° | 179.9° |
| C9 | C8 | C13 | H10 | 178.6° | 179.7° |
| C12 | C11 | C10 | C9 | 1.4° | 0.1° |
| C12 | C11 | C10 | C14 | 176.5° | 179.9° |
| C12 | C11 | C10 | H8 | 178.5° | 180.0° |
| C11 | C12 | C13 | H10 | 179.5° | 179.7° |
| C12 | C11 | C14 | H11 | 175.5° | 30.0° |
| C12 | C11 | C14 | H12 | 55.8° | 150.0° |
| C9 | C10 | C11 | H8 | 180.0° | 179.9° |
| C9 | C10 | C11 | C14 | 177.9° | 180.0° |
| C11 | C10 | C9 | H7 | 179.4° | 179.9° |
| C10 | C11 | C12 | H9 | 179.1° | 180.0° |
| C10 | C11 | C14 | H11 | 8.1° | 150.0° |
| C10 | C11 | C14 | H12 | 127.7° | 30.0° |
| C14 | C11 | C10 | H8 | 2.1° | 0.1° |
| C14 | C11 | C12 | H9 | 2.6° | 0.1° |
| C11 | C14 | H11 | H12 | 119.4° | 120.0° |
| H3 | C5 | C6 | H4 | 0.5° | 0.0° |
| H7 | C9 | C10 | H8 | 0.6° | 0.0° |
| H9 | C12 | C13 | H10 | 0.5° | 0.1° |
| H13 | C16 | C17 | H14 | 0.0° | 0.0° |
| H14 | C17 | C18 | H15 | 0.2° | 0.0° |
| H15 | C18 | C19 | H16 | 0.4° | 0.0° |
| H16 | C19 | C20 | H17 | 0.4° | 0.2° |
