VM4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | O24 | sing | 1.36Å | 1.36Å | |
| C24 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.48Å | |
| C19 | C26 | sing | 1.53Å | 1.53Å | |
| C19 | S18 | sing | 1.81Å | 1.78Å | |
| C10 | N9 | sing | 1.46Å | 1.49Å | |
| S18 | C3 | sing | 1.76Å | 1.71Å | |
| N4 | C3 | doub | 1.31Å | 1.40Å | |
| N4 | C5 | sing | 1.34Å | 1.38Å | |
| N9 | C5 | sing | 1.36Å | 1.33Å | Aromatic |
| N9 | N8 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | N2 | sing | 1.37Å | 1.43Å | |
| C5 | C6 | doub | 1.40Å | 1.47Å | Aromatic |
| N8 | C7 | doub | 1.30Å | 1.35Å | Aromatic |
| N2 | C12 | sing | 1.40Å | 1.41Å | |
| N2 | C1 | sing | 1.35Å | 1.42Å | |
| C6 | C7 | sing | 1.41Å | 1.43Å | Aromatic |
| C6 | C1 | sing | 1.42Å | 1.49Å | |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | O11 | doub | 1.22Å | 1.25Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| O24 | H17 | sing | 0.97Å | 0.95Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 120.2° | 120.0° |
| C22 | C23 | C24 | 119.7° | 119.9° |
| C23 | C22 | H15 | 119.9° | 120.0° |
| C22 | C23 | H16 | 120.2° | 120.0° |
| C22 | C21 | C20 | 119.6° | 120.1° |
| C22 | C21 | H14 | 120.2° | 119.9° |
| C21 | C22 | H15 | 119.9° | 120.0° |
| C23 | C24 | O24 | 122.8° | 120.1° |
| C23 | C24 | C25 | 120.0° | 119.9° |
| C24 | C23 | H16 | 120.1° | 120.0° |
| C21 | C20 | C25 | 119.7° | 120.1° |
| C21 | C20 | C19 | 121.3° | 119.9° |
| C20 | C21 | H14 | 120.2° | 120.0° |
| O24 | C24 | C25 | 117.1° | 120.0° |
| C24 | O24 | H17 | 109.5° | 114.0° |
| C24 | C25 | C20 | 120.6° | 119.9° |
| C24 | C25 | H18 | 119.7° | 120.0° |
| C25 | C20 | C19 | 119.0° | 120.0° |
| C20 | C25 | H18 | 119.7° | 120.0° |
| C20 | C19 | C26 | 111.9° | 109.5° |
| C20 | C19 | S18 | 108.5° | 109.5° |
| C20 | C19 | H10 | 110.1° | 109.4° |
| C26 | C19 | S18 | 110.4° | 109.5° |
| C26 | C19 | H10 | 109.3° | 109.5° |
| C19 | C26 | H11 | 109.5° | 109.5° |
| C19 | C26 | H12 | 109.5° | 109.6° |
| C19 | C26 | H13 | 109.5° | 109.5° |
| C19 | S18 | C3 | 112.5° | 100.0° |
| S18 | C19 | H10 | 106.5° | 109.4° |
| C10 | N9 | C5 | 131.4° | 125.9° |
| C10 | N9 | N8 | 116.0° | 125.9° |
| N9 | C10 | H6 | 109.5° | 109.5° |
| N9 | C10 | H7 | 109.5° | 109.5° |
| N9 | C10 | H8 | 109.5° | 109.5° |
| S18 | C3 | N4 | 118.6° | 119.0° |
| S18 | C3 | N2 | 120.7° | 119.0° |
| C3 | N4 | C5 | 121.2° | 121.2° |
| N4 | C3 | N2 | 120.7° | 122.0° |
| N4 | C5 | N9 | 133.9° | 133.9° |
| N4 | C5 | C6 | 121.4° | 119.5° |
| C5 | N9 | N8 | 112.6° | 108.3° |
| N9 | C5 | C6 | 104.7° | 106.6° |
| N9 | N8 | C7 | 107.1° | 109.6° |
| C3 | N2 | C12 | 121.9° | 119.9° |
| C3 | N2 | C1 | 120.6° | 120.3° |
| C5 | C6 | C7 | 107.3° | 107.2° |
| C5 | C6 | C1 | 117.3° | 118.7° |
| N8 | C7 | C6 | 108.3° | 108.4° |
| N8 | C7 | H9 | 125.8° | 125.8° |
| C12 | N2 | C1 | 117.4° | 119.8° |
| N2 | C12 | C13 | 117.1° | 120.0° |
| N2 | C12 | C17 | 123.2° | 120.1° |
| N2 | C1 | C6 | 118.7° | 118.3° |
| N2 | C1 | O11 | 120.7° | 120.9° |
| C7 | C6 | C1 | 135.5° | 134.2° |
| C6 | C7 | H9 | 125.8° | 125.8° |
| C6 | C1 | O11 | 120.6° | 120.8° |
| C12 | C13 | C14 | 120.6° | 119.9° |
| C13 | C12 | C17 | 119.7° | 119.9° |
| C12 | C13 | H1 | 119.7° | 120.1° |
| C13 | C14 | C15 | 119.8° | 120.0° |
| C14 | C13 | H1 | 119.7° | 120.0° |
| C13 | C14 | H2 | 120.1° | 120.0° |
| C12 | C17 | C16 | 120.0° | 119.9° |
| C12 | C17 | H5 | 120.0° | 120.0° |
| C14 | C15 | C16 | 119.7° | 120.2° |
| C15 | C14 | H2 | 120.1° | 120.0° |
| C14 | C15 | H3 | 120.1° | 119.9° |
| C17 | C16 | C15 | 120.2° | 120.1° |
| C17 | C16 | H4 | 119.9° | 120.0° |
| C16 | C17 | H5 | 120.0° | 120.1° |
| C16 | C15 | H3 | 120.2° | 120.0° |
| C15 | C16 | H4 | 119.9° | 120.0° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H6 | C10 | H8 | 109.4° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.5° | 109.5° |
| H11 | C26 | H13 | 109.5° | 109.5° |
| H12 | C26 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H15 | 180.0° | 179.9° |
| C22 | C23 | C24 | H16 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C22 | C23 | C24 | O24 | 179.8° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.1° |
| C23 | C22 | C21 | H14 | 179.8° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C22 | C21 | C20 | H14 | 180.0° | 180.0° |
| C22 | C21 | C20 | C25 | 0.1° | 0.0° |
| C22 | C21 | C20 | C19 | 179.6° | 179.7° |
| C21 | C22 | C23 | H16 | 179.8° | 180.0° |
| C23 | C24 | O24 | C25 | 179.7° | 179.9° |
| C23 | C24 | C25 | C20 | 0.4° | 0.1° |
| C24 | C23 | C22 | H15 | 179.8° | 179.9° |
| C23 | C24 | O24 | H17 | 180.0° | 90.0° |
| C23 | C24 | C25 | H18 | 179.6° | 179.7° |
| C21 | C20 | C25 | C24 | 0.3° | 0.0° |
| C21 | C20 | C25 | C19 | 179.6° | 179.7° |
| C21 | C20 | C19 | C26 | 118.1° | 59.7° |
| C21 | C20 | C19 | S18 | 119.8° | 60.3° |
| C21 | C20 | C19 | H10 | 3.6° | 179.7° |
| C20 | C21 | C22 | H15 | 179.8° | 179.9° |
| C21 | C20 | C25 | H18 | 179.6° | 179.7° |
| O24 | C24 | C25 | C20 | 179.9° | 180.0° |
| O24 | C24 | C23 | H16 | 0.2° | 0.1° |
| O24 | C24 | C25 | H18 | 0.1° | 0.2° |
| C24 | C25 | C20 | H18 | 180.0° | 179.7° |
| C24 | C25 | C20 | C19 | 179.9° | 179.7° |
| C25 | C24 | C23 | H16 | 179.9° | 180.0° |
| C25 | C24 | O24 | H17 | 0.4° | 90.0° |
| C25 | C20 | C19 | C26 | 62.3° | 120.0° |
| C25 | C20 | C19 | S18 | 59.8° | 120.0° |
| C25 | C20 | C19 | H10 | 176.0° | 0.1° |
| C25 | C20 | C21 | H14 | 180.0° | 180.0° |
| C20 | C19 | C26 | S18 | 121.0° | 120.0° |
| C20 | C19 | C26 | H10 | 122.2° | 120.0° |
| C20 | C19 | S18 | H10 | 118.5° | 119.9° |
| C20 | C19 | S18 | C3 | 154.9° | 175.0° |
| C20 | C19 | C26 | H11 | 180.0° | 60.0° |
| C20 | C19 | C26 | H12 | 60.0° | 180.0° |
| C20 | C19 | C26 | H13 | 60.0° | 60.0° |
| C19 | C20 | C21 | H14 | 0.4° | 0.3° |
| C19 | C20 | C25 | H18 | 0.1° | 0.0° |
| C26 | C19 | S18 | H10 | 118.5° | 120.0° |
| C26 | C19 | S18 | C3 | 82.2° | 64.9° |
| C19 | C26 | H11 | H12 | 120.0° | 120.1° |
| C19 | C26 | H11 | H13 | 120.0° | 120.0° |
| C19 | C26 | H12 | H13 | 120.0° | 120.0° |
| C19 | S18 | C3 | N4 | 18.5° | 0.1° |
| C19 | S18 | C3 | N2 | 161.4° | 180.0° |
| S18 | C19 | C26 | H11 | 59.0° | 60.0° |
| S18 | C19 | C26 | H12 | 179.0° | 60.0° |
| S18 | C19 | C26 | H13 | 61.0° | 180.0° |
| C10 | N9 | C5 | N4 | 0.3° | 0.0° |
| C10 | N9 | C5 | N8 | 179.9° | 180.0° |
| C10 | N9 | C5 | C6 | 179.8° | 179.7° |
| C10 | N9 | N8 | C7 | 179.8° | 180.0° |
| N9 | C10 | H6 | H7 | 120.0° | 120.0° |
| N9 | C10 | H6 | H8 | 120.0° | 120.0° |
| N9 | C10 | H7 | H8 | 120.0° | 120.0° |
| S18 | C3 | N4 | N2 | 179.9° | 180.0° |
| S18 | C3 | N4 | C5 | 179.9° | 180.0° |
| S18 | C3 | N2 | C12 | 2.2° | 0.0° |
| S18 | C3 | N2 | C1 | 179.4° | 180.0° |
| C3 | S18 | C19 | H10 | 36.4° | 55.0° |
| C3 | N4 | C5 | N9 | 179.9° | 180.0° |
| C3 | N4 | C5 | C6 | 0.2° | 0.3° |
| N4 | C3 | N2 | C12 | 177.9° | 179.9° |
| N4 | C3 | N2 | C1 | 0.8° | 0.0° |
| N4 | C5 | N9 | C6 | 179.9° | 179.7° |
| N4 | C5 | N9 | N8 | 179.8° | 180.0° |
| C5 | N4 | C3 | N2 | 0.2° | 0.0° |
| N4 | C5 | C6 | C7 | 179.9° | 179.8° |
| N4 | C5 | C6 | C1 | 0.0° | 0.6° |
| C5 | N9 | N8 | C7 | 0.2° | 0.0° |
| N9 | C5 | C6 | C7 | 0.0° | 0.4° |
| N9 | C5 | C6 | C1 | 179.9° | 179.6° |
| C5 | N9 | C10 | H6 | 179.9° | 90.0° |
| C5 | N9 | C10 | H7 | 60.0° | 150.0° |
| C5 | N9 | C10 | H8 | 60.0° | 30.0° |
| N8 | N9 | C5 | C6 | 0.1° | 0.3° |
| N9 | N8 | C7 | C6 | 0.1° | 0.3° |
| N8 | N9 | C10 | H6 | 0.0° | 90.0° |
| N8 | N9 | C10 | H7 | 120.0° | 30.0° |
| N8 | N9 | C10 | H8 | 120.0° | 150.0° |
| N9 | N8 | C7 | H9 | 179.9° | 179.9° |
| C3 | N2 | C12 | C1 | 177.3° | 179.9° |
| C3 | N2 | C1 | C6 | 0.9° | 0.3° |
| C3 | N2 | C12 | C13 | 99.4° | 89.9° |
| C3 | N2 | C12 | C17 | 81.5° | 89.9° |
| C3 | N2 | C1 | O11 | 179.7° | 180.0° |
| C5 | C6 | C7 | N8 | 0.1° | 0.4° |
| C5 | C6 | C1 | N2 | 0.6° | 0.6° |
| C5 | C6 | C7 | C1 | 179.8° | 179.0° |
| C5 | C6 | C1 | O11 | 180.0° | 179.7° |
| C5 | C6 | C7 | H9 | 179.9° | 179.8° |
| N8 | C7 | C6 | H9 | 180.0° | 179.8° |
| N8 | C7 | C6 | C1 | 179.8° | 179.4° |
| C12 | N2 | C1 | C6 | 178.2° | 179.7° |
| N2 | C12 | C13 | C17 | 179.1° | 179.8° |
| N2 | C12 | C13 | C14 | 179.8° | 180.0° |
| C12 | N2 | C1 | O11 | 2.4° | 0.1° |
| N2 | C12 | C17 | C16 | 179.6° | 179.7° |
| N2 | C12 | C13 | H1 | 0.2° | 0.0° |
| N2 | C12 | C17 | H5 | 0.4° | 0.0° |
| N2 | C1 | C6 | C7 | 179.6° | 179.5° |
| N2 | C1 | C6 | O11 | 179.4° | 179.7° |
| C1 | N2 | C12 | C13 | 77.9° | 90.2° |
| C1 | N2 | C12 | C17 | 101.2° | 90.1° |
| C7 | C6 | C1 | O11 | 0.2° | 0.8° |
| C1 | C6 | C7 | H9 | 0.2° | 0.8° |
| C12 | C13 | C14 | H1 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.4° | 0.0° |
| C13 | C12 | C17 | C16 | 0.6° | 0.5° |
| C12 | C13 | C14 | H2 | 179.6° | 180.0° |
| C13 | C12 | C17 | H5 | 179.5° | 179.8° |
| C14 | C13 | C12 | C17 | 0.6° | 0.3° |
| C13 | C14 | C15 | H2 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H3 | 179.9° | 180.0° |
| C12 | C17 | C16 | H5 | 180.0° | 179.7° |
| C12 | C17 | C16 | C15 | 0.2° | 0.5° |
| C17 | C12 | C13 | H1 | 179.4° | 179.8° |
| C12 | C17 | C16 | H4 | 179.7° | 179.7° |
| C14 | C15 | C16 | C17 | 0.0° | 0.3° |
| C14 | C15 | C16 | H3 | 180.0° | 180.0° |
| C15 | C14 | C13 | H1 | 179.6° | 180.0° |
| C14 | C15 | C16 | H4 | 180.0° | 180.0° |
| C17 | C16 | C15 | H4 | 180.0° | 179.8° |
| C17 | C16 | C15 | H3 | 180.0° | 179.7° |
| C16 | C15 | C14 | H2 | 179.9° | 180.0° |
| C15 | C16 | C17 | H5 | 179.8° | 179.8° |
| H1 | C13 | C14 | H2 | 0.4° | 0.1° |
| H2 | C14 | C15 | H3 | 0.1° | 0.0° |
| H3 | C15 | C16 | H4 | 0.0° | 0.0° |
| H4 | C16 | C17 | H5 | 0.3° | 0.0° |
| H6 | C10 | H7 | H8 | 120.0° | 120.0° |
| H10 | C19 | C26 | H11 | 57.8° | 180.0° |
| H10 | C19 | C26 | H12 | 62.2° | 60.0° |
| H10 | C19 | C26 | H13 | 177.8° | 60.0° |
| H11 | C26 | H12 | H13 | 120.0° | 119.9° |
| H14 | C21 | C22 | H15 | 0.2° | 0.1° |
| H15 | C22 | C23 | H16 | 0.2° | 0.1° |
