VBY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C18 | doub | 1.36Å | 1.40Å | Aromatic |
| C22 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| C20 | C14 | doub | 1.36Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | C8 | sing | 1.42Å | 1.50Å | Aromatic |
| C14 | C8 | sing | 1.41Å | 1.39Å | Aromatic |
| C25 | C27 | doub | 1.33Å | 1.33Å | |
| C25 | C24 | sing | 1.47Å | 1.50Å | |
| O26 | C24 | doub | 1.22Å | 1.23Å | |
| C12 | C9 | sing | 1.36Å | 1.41Å | Aromatic |
| C8 | C5 | doub | 1.40Å | 1.51Å | Aromatic |
| C24 | N01 | sing | 1.35Å | 1.35Å | |
| O7 | C1 | doub | 1.22Å | 1.24Å | |
| N01 | C19 | sing | 1.40Å | 1.37Å | |
| C9 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C19 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.49Å | |
| C1 | C3 | sing | 1.48Å | 1.48Å | |
| C1 | N2 | sing | 1.35Å | 1.33Å | |
| C3 | C10 | doub | 1.40Å | 1.46Å | Aromatic |
| C21 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C16 | sing | 1.51Å | 1.52Å | |
| C6 | N2 | sing | 1.47Å | 1.43Å | |
| C6 | C01 | sing | 1.53Å | 1.52Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C27 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| N01 | H19 | sing | 0.97Å | 1.00Å | |
| C01 | H20 | sing | 1.09Å | 1.10Å | |
| C01 | H21 | sing | 1.09Å | 1.10Å | |
| C01 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C22 | C20 | 120.4° | 121.0° |
| C22 | C18 | C11 | 119.5° | 119.7° |
| C22 | C18 | H8 | 120.3° | 120.2° |
| C18 | C22 | H11 | 119.8° | 119.5° |
| C22 | C20 | C14 | 122.1° | 121.0° |
| C22 | C20 | H9 | 118.9° | 119.5° |
| C20 | C22 | H11 | 119.8° | 119.5° |
| C18 | C11 | C12 | 120.9° | 121.3° |
| C18 | C11 | C8 | 120.1° | 119.4° |
| C11 | C18 | H8 | 120.2° | 120.1° |
| C20 | C14 | C8 | 119.5° | 119.7° |
| C20 | C14 | H3 | 120.3° | 120.2° |
| C14 | C20 | H9 | 119.0° | 119.5° |
| C12 | C11 | C8 | 119.0° | 119.3° |
| C11 | C12 | C9 | 121.2° | 119.7° |
| C11 | C12 | H1 | 119.4° | 120.2° |
| C11 | C8 | C14 | 118.4° | 119.3° |
| C11 | C8 | C5 | 117.6° | 119.4° |
| C14 | C8 | C5 | 124.0° | 121.3° |
| C8 | C14 | H3 | 120.2° | 120.1° |
| C27 | C25 | C24 | 124.9° | 120.0° |
| C27 | C25 | H12 | 117.5° | 120.0° |
| C25 | C27 | H13 | 120.0° | 120.0° |
| C25 | C27 | H14 | 120.0° | 120.0° |
| C25 | C24 | O26 | 114.4° | 120.0° |
| C25 | C24 | N01 | 121.2° | 120.0° |
| C24 | C25 | H12 | 117.6° | 120.0° |
| O26 | C24 | N01 | 124.4° | 120.0° |
| C12 | C9 | C4 | 121.6° | 121.0° |
| C9 | C12 | H1 | 119.4° | 120.2° |
| C12 | C9 | H17 | 119.2° | 119.5° |
| C8 | C5 | C4 | 118.6° | 119.7° |
| C8 | C5 | C6 | 122.5° | 120.2° |
| C24 | N01 | C19 | 122.3° | 120.0° |
| C24 | N01 | H19 | 118.9° | 120.0° |
| O7 | C1 | C3 | 117.7° | 120.0° |
| O7 | C1 | N2 | 123.9° | 120.0° |
| N01 | C19 | C13 | 118.7° | 120.0° |
| N01 | C19 | C21 | 121.4° | 120.0° |
| C19 | N01 | H19 | 118.9° | 120.0° |
| C9 | C4 | C5 | 122.1° | 121.0° |
| C9 | C4 | H15 | 119.0° | 119.5° |
| C4 | C9 | H17 | 119.2° | 119.5° |
| C19 | C13 | C3 | 120.5° | 119.8° |
| C13 | C19 | C21 | 119.2° | 120.0° |
| C19 | C13 | H2 | 119.7° | 120.1° |
| C13 | C3 | C1 | 123.0° | 120.1° |
| C13 | C3 | C10 | 120.0° | 119.8° |
| C3 | C13 | H2 | 119.7° | 120.1° |
| C19 | C21 | C17 | 121.7° | 120.2° |
| C19 | C21 | H10 | 119.2° | 119.9° |
| C4 | C5 | C6 | 118.9° | 120.2° |
| C5 | C4 | H15 | 119.0° | 119.5° |
| C5 | C6 | N2 | 105.8° | 109.5° |
| C5 | C6 | C01 | 114.4° | 109.5° |
| C5 | C6 | H16 | 107.8° | 109.5° |
| C3 | C1 | N2 | 118.3° | 120.0° |
| C1 | C3 | C10 | 117.0° | 120.1° |
| C1 | N2 | C6 | 118.8° | 120.0° |
| C1 | N2 | H18 | 120.6° | 120.0° |
| C3 | C10 | C17 | 118.4° | 120.0° |
| C3 | C10 | C16 | 119.6° | 120.0° |
| C21 | C17 | C10 | 120.1° | 120.3° |
| C21 | C17 | H7 | 120.0° | 119.8° |
| C17 | C21 | H10 | 119.1° | 119.9° |
| C17 | C10 | C16 | 122.0° | 120.0° |
| C10 | C17 | H7 | 119.9° | 119.9° |
| C10 | C16 | H4 | 109.5° | 109.4° |
| C10 | C16 | H5 | 109.5° | 109.5° |
| C10 | C16 | H6 | 109.4° | 109.5° |
| N2 | C6 | C01 | 112.6° | 109.5° |
| N2 | C6 | H16 | 108.6° | 109.4° |
| C6 | N2 | H18 | 120.6° | 120.0° |
| C01 | C6 | H16 | 107.5° | 109.5° |
| C6 | C01 | H20 | 109.5° | 109.4° |
| C6 | C01 | H21 | 109.5° | 109.5° |
| C6 | C01 | H22 | 109.5° | 109.5° |
| H4 | C16 | H5 | 109.4° | 109.5° |
| H4 | C16 | H6 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H13 | C27 | H14 | 120.0° | 120.0° |
| H20 | C01 | H21 | 109.5° | 109.5° |
| H20 | C01 | H22 | 109.5° | 109.4° |
| H21 | C01 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C22 | C20 | H11 | 180.0° | 179.9° |
| C22 | C18 | C11 | H8 | 180.0° | 179.9° |
| C18 | C22 | C20 | C14 | 0.1° | 0.2° |
| C22 | C18 | C11 | C12 | 179.8° | 180.0° |
| C22 | C18 | C11 | C8 | 0.3° | 0.4° |
| C18 | C22 | C20 | H9 | 179.9° | 180.0° |
| C20 | C22 | C18 | C11 | 0.3° | 0.1° |
| C22 | C20 | C14 | H9 | 180.0° | 179.8° |
| C22 | C20 | C14 | C8 | 0.2° | 0.2° |
| C22 | C20 | C14 | H3 | 179.8° | 179.7° |
| C20 | C22 | C18 | H8 | 179.6° | 180.0° |
| C18 | C11 | C12 | C8 | 179.5° | 179.7° |
| C18 | C11 | C8 | C14 | 0.1° | 0.3° |
| C18 | C11 | C12 | C9 | 179.1° | 179.7° |
| C18 | C11 | C8 | C5 | 179.6° | 179.7° |
| C18 | C11 | C12 | H1 | 0.9° | 0.3° |
| C11 | C18 | C22 | H11 | 179.6° | 180.0° |
| C20 | C14 | C8 | C11 | 0.2° | 0.0° |
| C20 | C14 | C8 | H3 | 180.0° | 179.9° |
| C20 | C14 | C8 | C5 | 179.9° | 180.0° |
| C14 | C20 | C22 | H11 | 179.9° | 179.8° |
| C12 | C11 | C8 | C14 | 179.5° | 180.0° |
| C11 | C12 | C9 | H1 | 180.0° | 180.0° |
| C12 | C11 | C8 | C5 | 0.2° | 0.0° |
| C11 | C12 | C9 | C4 | 0.6° | 0.0° |
| C12 | C11 | C18 | H8 | 0.2° | 0.1° |
| C11 | C12 | C9 | H17 | 179.5° | 180.0° |
| C11 | C8 | C14 | C5 | 179.7° | 180.0° |
| C8 | C11 | C12 | C9 | 0.4° | 0.0° |
| C11 | C8 | C5 | C4 | 0.6° | 0.0° |
| C11 | C8 | C5 | C6 | 179.6° | 180.0° |
| C8 | C11 | C12 | H1 | 179.6° | 180.0° |
| C11 | C8 | C14 | H3 | 179.8° | 180.0° |
| C8 | C11 | C18 | H8 | 179.6° | 179.7° |
| C14 | C8 | C5 | C4 | 179.1° | 180.0° |
| C14 | C8 | C5 | C6 | 0.1° | 0.0° |
| C8 | C14 | C20 | H9 | 179.8° | 180.0° |
| C27 | C25 | C24 | H12 | 180.0° | 180.0° |
| C27 | C25 | C24 | O26 | 173.2° | 0.0° |
| C27 | C25 | C24 | N01 | 5.2° | 180.0° |
| C25 | C27 | H13 | H14 | 179.9° | 179.9° |
| C25 | C24 | O26 | N01 | 178.3° | 180.0° |
| C25 | C24 | N01 | C19 | 176.1° | 175.0° |
| C24 | C25 | C27 | H13 | 180.0° | 180.0° |
| C24 | C25 | C27 | H14 | 0.0° | 0.1° |
| C25 | C24 | N01 | H19 | 3.9° | 5.1° |
| O26 | C24 | N01 | C19 | 5.7° | 5.0° |
| O26 | C24 | C25 | H12 | 6.8° | 180.0° |
| O26 | C24 | N01 | H19 | 174.3° | 174.9° |
| C12 | C9 | C4 | H17 | 180.0° | 180.0° |
| C12 | C9 | C4 | C5 | 0.1° | 0.0° |
| C12 | C9 | C4 | H15 | 179.9° | 180.0° |
| C8 | C5 | C4 | C9 | 0.5° | 0.0° |
| C8 | C5 | C4 | C6 | 179.1° | 180.0° |
| C8 | C5 | C6 | N2 | 119.8° | 151.6° |
| C8 | C5 | C6 | C01 | 115.7° | 88.4° |
| C5 | C8 | C14 | H3 | 0.1° | 0.0° |
| C8 | C5 | C4 | H15 | 179.5° | 180.0° |
| C8 | C5 | C6 | H16 | 3.8° | 31.6° |
| C24 | N01 | C19 | H19 | 180.0° | 179.9° |
| C24 | N01 | C19 | C13 | 132.4° | 142.9° |
| C24 | N01 | C19 | C21 | 37.8° | 38.0° |
| N01 | C24 | C25 | H12 | 174.9° | 0.0° |
| O7 | C1 | C3 | C13 | 120.1° | 174.0° |
| O7 | C1 | C3 | N2 | 178.3° | 179.7° |
| O7 | C1 | C3 | C10 | 61.4° | 6.0° |
| O7 | C1 | N2 | C6 | 3.1° | 0.3° |
| O7 | C1 | N2 | H18 | 176.9° | 179.7° |
| N01 | C19 | C13 | C21 | 170.5° | 179.2° |
| N01 | C19 | C13 | C3 | 172.1° | 180.0° |
| N01 | C19 | C21 | C17 | 171.8° | 179.8° |
| N01 | C19 | C13 | H2 | 7.9° | 0.8° |
| N01 | C19 | C21 | H10 | 8.2° | 0.3° |
| C9 | C4 | C5 | H15 | 180.0° | 180.0° |
| C9 | C4 | C5 | C6 | 179.5° | 180.0° |
| C4 | C9 | C12 | H1 | 179.4° | 180.0° |
| C19 | C13 | C3 | H2 | 180.0° | 179.3° |
| C19 | C13 | C3 | C1 | 178.3° | 179.5° |
| C19 | C13 | C3 | C10 | 0.2° | 0.5° |
| C13 | C19 | C21 | C17 | 1.6° | 0.6° |
| C13 | C19 | C21 | H10 | 178.4° | 179.5° |
| C13 | C19 | N01 | H19 | 47.5° | 37.1° |
| C3 | C13 | C19 | C21 | 1.6° | 0.8° |
| C13 | C3 | C1 | C10 | 178.5° | 180.0° |
| C13 | C3 | C1 | N2 | 61.6° | 6.3° |
| C13 | C3 | C10 | C17 | 1.3° | 0.0° |
| C13 | C3 | C10 | C16 | 179.1° | 179.7° |
| C19 | C21 | C17 | H10 | 180.0° | 179.9° |
| C19 | C21 | C17 | C10 | 0.1° | 0.1° |
| C21 | C19 | C13 | H2 | 178.4° | 179.9° |
| C19 | C21 | C17 | H7 | 179.9° | 180.0° |
| C21 | C19 | N01 | H19 | 142.2° | 142.1° |
| C4 | C5 | C6 | N2 | 59.2° | 28.4° |
| C4 | C5 | C6 | C01 | 65.2° | 91.6° |
| C4 | C5 | C6 | H16 | 175.3° | 148.4° |
| C5 | C4 | C9 | H17 | 179.9° | 180.0° |
| C5 | C6 | N2 | C1 | 97.1° | 154.7° |
| C5 | C6 | N2 | C01 | 125.6° | 120.0° |
| C5 | C6 | N2 | H16 | 115.5° | 120.0° |
| C5 | C6 | C01 | H16 | 119.7° | 120.0° |
| C6 | C5 | C4 | H15 | 0.5° | 0.0° |
| C5 | C6 | N2 | H18 | 82.9° | 25.4° |
| C5 | C6 | C01 | H20 | 180.0° | 60.0° |
| C5 | C6 | C01 | H21 | 60.0° | 60.0° |
| C5 | C6 | C01 | H22 | 60.0° | 180.0° |
| C1 | C3 | C10 | C17 | 179.9° | 180.0° |
| C1 | C3 | C10 | C16 | 0.5° | 0.3° |
| C3 | C1 | N2 | C6 | 178.7° | 180.0° |
| C1 | C3 | C13 | H2 | 1.7° | 0.2° |
| C3 | C1 | N2 | H18 | 1.4° | 0.0° |
| N2 | C1 | C3 | C10 | 116.9° | 173.7° |
| C1 | N2 | C6 | H18 | 180.0° | 180.0° |
| C1 | N2 | C6 | C01 | 137.3° | 85.3° |
| C1 | N2 | C6 | H16 | 18.4° | 34.6° |
| C3 | C10 | C17 | C21 | 1.3° | 0.2° |
| C3 | C10 | C17 | C16 | 179.6° | 179.7° |
| C10 | C3 | C13 | H2 | 179.8° | 179.8° |
| C3 | C10 | C16 | H4 | 90.2° | 83.4° |
| C3 | C10 | C16 | H5 | 149.8° | 36.6° |
| C3 | C10 | C16 | H6 | 29.8° | 156.7° |
| C3 | C10 | C17 | H7 | 178.6° | 179.7° |
| C21 | C17 | C10 | H7 | 180.0° | 179.9° |
| C21 | C17 | C10 | C16 | 179.0° | 179.9° |
| C17 | C10 | C16 | H4 | 90.2° | 96.9° |
| C17 | C10 | C16 | H5 | 29.8° | 143.1° |
| C17 | C10 | C16 | H6 | 149.8° | 23.1° |
| C10 | C17 | C21 | H10 | 179.9° | 180.0° |
| C10 | C16 | H4 | H5 | 120.0° | 120.0° |
| C10 | C16 | H4 | H6 | 120.0° | 120.0° |
| C10 | C16 | H5 | H6 | 120.0° | 120.0° |
| C16 | C10 | C17 | H7 | 1.0° | 0.0° |
| N2 | C6 | C01 | H16 | 119.6° | 120.0° |
| N2 | C6 | C01 | H20 | 59.3° | 180.0° |
| N2 | C6 | C01 | H21 | 179.2° | 60.0° |
| N2 | C6 | C01 | H22 | 60.8° | 60.0° |
| C01 | C6 | N2 | H18 | 42.7° | 94.6° |
| C6 | C01 | H20 | H21 | 120.0° | 120.0° |
| C6 | C01 | H20 | H22 | 120.0° | 120.0° |
| C6 | C01 | H21 | H22 | 120.0° | 120.0° |
| H1 | C12 | C9 | H17 | 0.6° | 0.0° |
| H3 | C14 | C20 | H9 | 0.2° | 0.1° |
| H4 | C16 | H5 | H6 | 120.0° | 120.0° |
| H7 | C17 | C21 | H10 | 0.0° | 0.1° |
| H8 | C18 | C22 | H11 | 0.4° | 0.0° |
| H9 | C20 | C22 | H11 | 0.1° | 0.1° |
| H12 | C25 | C27 | H13 | 0.0° | 0.1° |
| H12 | C25 | C27 | H14 | 180.0° | 180.0° |
| H15 | C4 | C9 | H17 | 0.1° | 0.0° |
| H16 | C6 | N2 | H18 | 161.6° | 145.4° |
| H16 | C6 | C01 | H20 | 60.3° | 60.0° |
| H16 | C6 | C01 | H21 | 59.7° | 180.0° |
| H16 | C6 | C01 | H22 | 179.7° | 59.9° |
| H20 | C01 | H21 | H22 | 120.0° | 120.0° |
