VGY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N8 | C9 | doub | 1.31Å | 1.32Å | Aromatic |
| N8 | C7 | sing | 1.34Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C7 | doub | 1.41Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.36Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.42Å | 1.42Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | CL1 | sing | 1.74Å | 1.73Å | |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C11 | sing | 1.42Å | 1.44Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | N22 | sing | 1.39Å | 1.45Å | |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C12 | sing | 1.48Å | 1.49Å | |
| C28 | C29 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C29 | F31 | sing | 1.35Å | 1.36Å | |
| C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| N22 | C23 | sing | 1.47Å | 1.47Å | |
| C13 | N14 | sing | 1.32Å | 1.34Å | Aromatic |
| C23 | C30 | sing | 1.53Å | 1.52Å | |
| C17 | N16 | doub | 1.32Å | 1.34Å | Aromatic |
| N14 | C15 | doub | 1.32Å | 1.38Å | Aromatic |
| N16 | C15 | sing | 1.32Å | 1.38Å | Aromatic |
| C15 | C18 | sing | 1.51Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| O21 | C18 | sing | 1.43Å | 1.44Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C13 | H36 | sing | 1.08Å | 1.08Å | |
| C17 | H37 | sing | 1.08Å | 1.08Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å | |
| C19 | H40 | sing | 1.09Å | 1.10Å | |
| C20 | H42 | sing | 1.09Å | 1.10Å | |
| C20 | H43 | sing | 1.09Å | 1.10Å | |
| C20 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | H49 | sing | 1.08Å | 1.08Å | |
| C3 | H32 | sing | 1.08Å | 1.08Å | |
| C4 | H33 | sing | 1.08Å | 1.08Å | |
| C5 | H34 | sing | 1.08Å | 1.08Å | |
| C9 | H35 | sing | 1.08Å | 1.08Å | |
| O21 | H44 | sing | 0.97Å | 0.95Å | |
| N22 | H45 | sing | 1.01Å | 1.00Å | |
| C25 | H47 | sing | 1.08Å | 1.08Å | |
| C26 | H48 | sing | 1.08Å | 1.08Å | |
| C28 | H50 | sing | 1.08Å | 1.08Å | |
| C30 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N8 | C7 | 118.2° | 121.8° |
| N8 | C9 | C10 | 123.6° | 121.9° |
| N8 | C9 | H35 | 118.2° | 119.1° |
| N8 | C7 | C4 | 118.4° | 120.8° |
| N8 | C7 | C6 | 122.9° | 119.9° |
| C9 | C10 | CL1 | 119.6° | 120.2° |
| C9 | C10 | C11 | 120.6° | 119.7° |
| C10 | C9 | H35 | 118.2° | 119.1° |
| C7 | C4 | C3 | 120.7° | 120.1° |
| C4 | C7 | C6 | 118.7° | 119.3° |
| C7 | C4 | H33 | 119.6° | 119.9° |
| C4 | C3 | C2 | 121.5° | 120.9° |
| C4 | C3 | H32 | 119.3° | 119.5° |
| C3 | C4 | H33 | 119.6° | 120.0° |
| C7 | C6 | C11 | 117.3° | 118.9° |
| C7 | C6 | C5 | 118.3° | 119.9° |
| C3 | C2 | C5 | 118.3° | 120.4° |
| C3 | C2 | C12 | 121.7° | 119.8° |
| C2 | C3 | H32 | 119.2° | 119.6° |
| CL1 | C10 | C11 | 119.8° | 120.2° |
| C10 | C11 | C6 | 117.4° | 117.9° |
| C10 | C11 | N22 | 120.9° | 121.0° |
| C27 | C26 | C25 | 120.1° | 120.1° |
| C26 | C27 | C28 | 120.1° | 120.0° |
| C26 | C27 | H49 | 120.0° | 120.0° |
| C27 | C26 | H48 | 120.0° | 120.0° |
| C26 | C25 | C24 | 121.1° | 120.0° |
| C26 | C25 | H47 | 119.4° | 120.0° |
| C25 | C26 | H48 | 119.9° | 119.9° |
| C27 | C28 | C29 | 118.4° | 120.0° |
| C28 | C27 | H49 | 119.9° | 120.0° |
| C27 | C28 | H50 | 120.8° | 120.0° |
| C11 | C6 | C5 | 124.3° | 121.2° |
| C6 | C11 | N22 | 121.8° | 121.1° |
| C6 | C5 | C2 | 122.3° | 119.4° |
| C6 | C5 | H34 | 118.8° | 120.3° |
| C11 | N22 | C23 | 125.4° | 111.0° |
| C11 | N22 | H45 | 105.4° | 111.0° |
| C25 | C24 | C29 | 116.6° | 120.0° |
| C25 | C24 | C23 | 122.5° | 120.0° |
| C24 | C25 | H47 | 119.4° | 120.0° |
| C5 | C2 | C12 | 119.9° | 119.8° |
| C2 | C5 | H34 | 118.9° | 120.3° |
| C2 | C12 | C13 | 122.8° | 120.9° |
| C2 | C12 | C17 | 122.1° | 120.9° |
| C28 | C29 | C24 | 123.6° | 119.9° |
| C28 | C29 | F31 | 118.4° | 120.1° |
| C29 | C28 | H50 | 120.8° | 120.0° |
| C29 | C24 | C23 | 120.8° | 120.0° |
| C24 | C29 | F31 | 118.0° | 120.0° |
| C24 | C23 | N22 | 114.0° | 109.5° |
| C24 | C23 | C30 | 111.6° | 109.5° |
| C24 | C23 | H46 | 107.1° | 109.5° |
| C13 | C12 | C17 | 115.0° | 118.2° |
| C12 | C13 | N14 | 124.4° | 118.9° |
| C12 | C13 | H36 | 117.8° | 120.5° |
| C12 | C17 | N16 | 124.5° | 119.0° |
| C12 | C17 | H37 | 117.7° | 120.5° |
| N22 | C23 | C30 | 108.9° | 109.5° |
| N22 | C23 | H46 | 107.7° | 109.4° |
| C23 | N22 | H45 | 105.3° | 111.0° |
| C13 | N14 | C15 | 116.0° | 121.0° |
| N14 | C13 | H36 | 117.8° | 120.6° |
| C30 | C23 | H46 | 107.1° | 109.4° |
| C23 | C30 | H52 | 109.5° | 109.4° |
| C23 | C30 | H51 | 109.5° | 109.5° |
| C23 | C30 | H53 | 109.4° | 109.5° |
| C17 | N16 | C15 | 115.9° | 120.9° |
| N16 | C17 | H37 | 117.8° | 120.5° |
| N14 | C15 | N16 | 124.2° | 122.1° |
| N14 | C15 | C18 | 119.9° | 119.0° |
| N16 | C15 | C18 | 115.9° | 119.0° |
| C15 | C18 | C19 | 113.8° | 109.4° |
| C15 | C18 | O21 | 107.7° | 109.5° |
| C15 | C18 | C20 | 110.3° | 109.4° |
| C19 | C18 | O21 | 107.4° | 109.5° |
| C19 | C18 | C20 | 110.6° | 109.5° |
| C18 | C19 | H38 | 109.5° | 109.4° |
| C18 | C19 | H39 | 109.5° | 109.5° |
| C18 | C19 | H40 | 109.5° | 109.5° |
| O21 | C18 | C20 | 106.8° | 109.5° |
| C18 | O21 | H44 | 109.5° | 114.0° |
| C18 | C20 | H42 | 109.5° | 109.5° |
| C18 | C20 | H43 | 109.5° | 109.4° |
| C18 | C20 | H41 | 109.4° | 109.5° |
| H38 | C19 | H39 | 109.5° | 109.5° |
| H38 | C19 | H40 | 109.5° | 109.5° |
| H39 | C19 | H40 | 109.5° | 109.5° |
| H42 | C20 | H43 | 109.5° | 109.5° |
| H42 | C20 | H41 | 109.5° | 109.4° |
| H43 | C20 | H41 | 109.5° | 109.4° |
| H52 | C30 | H51 | 109.4° | 109.5° |
| H52 | C30 | H53 | 109.5° | 109.4° |
| H51 | C30 | H53 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | C9 | C10 | H35 | 180.0° | 179.8° |
| C9 | N8 | C7 | C4 | 176.4° | 180.0° |
| C9 | N8 | C7 | C6 | 1.2° | 0.0° |
| N8 | C9 | C10 | CL1 | 178.3° | 180.0° |
| N8 | C9 | C10 | C11 | 0.4° | 0.4° |
| C7 | N8 | C9 | C10 | 1.6° | 0.3° |
| N8 | C7 | C4 | C6 | 177.7° | 180.0° |
| N8 | C7 | C4 | C3 | 178.2° | 179.9° |
| N8 | C7 | C6 | C11 | 1.2° | 0.0° |
| N8 | C7 | C6 | C5 | 175.3° | 179.9° |
| N8 | C7 | C4 | H33 | 1.8° | 0.1° |
| C7 | N8 | C9 | H35 | 178.4° | 180.0° |
| C9 | C10 | CL1 | C11 | 178.7° | 179.5° |
| C9 | C10 | C11 | C6 | 2.8° | 0.3° |
| C9 | C10 | C11 | N22 | 176.8° | 179.8° |
| C7 | C4 | C3 | H33 | 180.0° | 180.0° |
| C7 | C4 | C3 | C2 | 1.0° | 0.0° |
| C4 | C7 | C6 | C11 | 178.8° | 180.0° |
| C4 | C7 | C6 | C5 | 2.3° | 0.1° |
| C7 | C4 | C3 | H32 | 179.0° | 180.0° |
| C3 | C4 | C7 | C6 | 0.5° | 0.0° |
| C4 | C3 | C2 | H32 | 180.0° | 180.0° |
| C4 | C3 | C2 | C5 | 1.4° | 0.0° |
| C4 | C3 | C2 | C12 | 175.2° | 179.9° |
| C7 | C6 | C11 | C10 | 3.1° | 0.1° |
| C7 | C6 | C11 | C5 | 176.3° | 179.9° |
| C7 | C6 | C11 | N22 | 176.5° | 180.0° |
| C7 | C6 | C5 | C2 | 4.9° | 0.1° |
| C6 | C7 | C4 | H33 | 179.5° | 179.9° |
| C7 | C6 | C5 | H34 | 175.2° | 180.0° |
| C3 | C2 | C5 | C6 | 4.4° | 0.0° |
| C3 | C2 | C5 | C12 | 176.6° | 179.9° |
| C3 | C2 | C12 | C13 | 46.1° | 0.1° |
| C3 | C2 | C12 | C17 | 137.4° | 180.0° |
| C2 | C3 | C4 | H33 | 179.0° | 180.0° |
| C3 | C2 | C5 | H34 | 175.6° | 180.0° |
| CL1 | C10 | C11 | C6 | 175.9° | 179.9° |
| CL1 | C10 | C11 | N22 | 4.5° | 0.2° |
| CL1 | C10 | C9 | H35 | 1.7° | 0.3° |
| C10 | C11 | C6 | N22 | 179.6° | 179.9° |
| C10 | C11 | C6 | C5 | 173.2° | 179.9° |
| C10 | C11 | N22 | C23 | 125.0° | 60.1° |
| C11 | C10 | C9 | H35 | 179.5° | 179.8° |
| C10 | C11 | N22 | H45 | 2.9° | 63.8° |
| C27 | C26 | C25 | H48 | 180.0° | 180.0° |
| C26 | C27 | C28 | H49 | 180.0° | 179.4° |
| C27 | C26 | C25 | C24 | 1.2° | 0.0° |
| C26 | C27 | C28 | C29 | 0.6° | 0.6° |
| C27 | C26 | C25 | H47 | 178.8° | 180.0° |
| C26 | C27 | C28 | H50 | 179.4° | 179.4° |
| C25 | C26 | C27 | C28 | 0.2° | 0.3° |
| C26 | C25 | C24 | H47 | 180.0° | 180.0° |
| C26 | C25 | C24 | C29 | 1.4° | 0.0° |
| C26 | C25 | C24 | C23 | 179.8° | 179.7° |
| C25 | C26 | C27 | H49 | 179.8° | 179.7° |
| C27 | C28 | C29 | H50 | 180.0° | 180.0° |
| C27 | C28 | C29 | C24 | 0.4° | 0.6° |
| C27 | C28 | C29 | F31 | 176.5° | 179.4° |
| C28 | C27 | C26 | H48 | 179.8° | 179.7° |
| C11 | C6 | C5 | C2 | 178.9° | 180.0° |
| C6 | C11 | N22 | C23 | 54.6° | 120.0° |
| C11 | C6 | C5 | H34 | 1.1° | 0.0° |
| C6 | C11 | N22 | H45 | 176.7° | 116.0° |
| C5 | C6 | C11 | N22 | 7.2° | 0.0° |
| C6 | C5 | C2 | H34 | 180.0° | 180.0° |
| C6 | C5 | C2 | C12 | 172.2° | 179.9° |
| C11 | N22 | C23 | C24 | 54.5° | 155.0° |
| C11 | N22 | C23 | H45 | 122.1° | 124.0° |
| C11 | N22 | C23 | C30 | 180.0° | 85.0° |
| C11 | N22 | C23 | H46 | 64.2° | 35.0° |
| C25 | C24 | C29 | C28 | 0.5° | 0.3° |
| C25 | C24 | C29 | C23 | 178.5° | 179.8° |
| C25 | C24 | C29 | F31 | 175.6° | 179.7° |
| C25 | C24 | C23 | N22 | 26.0° | 25.3° |
| C25 | C24 | C23 | C30 | 98.1° | 94.8° |
| C25 | C24 | C23 | H46 | 145.0° | 145.2° |
| C24 | C25 | C26 | H48 | 178.8° | 180.0° |
| C5 | C2 | C12 | C13 | 137.4° | 180.0° |
| C5 | C2 | C12 | C17 | 39.1° | 0.0° |
| C5 | C2 | C3 | H32 | 178.6° | 180.0° |
| C2 | C12 | C13 | C17 | 176.7° | 180.0° |
| C2 | C12 | C13 | N14 | 175.9° | 180.0° |
| C2 | C12 | C17 | N16 | 175.2° | 180.0° |
| C2 | C12 | C13 | H36 | 4.1° | 0.1° |
| C2 | C12 | C17 | H37 | 4.8° | 0.0° |
| C12 | C2 | C3 | H32 | 4.8° | 0.0° |
| C12 | C2 | C5 | H34 | 7.8° | 0.1° |
| C28 | C29 | C24 | F31 | 176.1° | 180.0° |
| C28 | C29 | C24 | C23 | 179.0° | 180.0° |
| C29 | C28 | C27 | H49 | 179.4° | 180.0° |
| C29 | C24 | C23 | N22 | 155.7° | 155.0° |
| C29 | C24 | C23 | C30 | 80.3° | 85.0° |
| C29 | C24 | C23 | H46 | 36.6° | 35.0° |
| C29 | C24 | C25 | H47 | 178.6° | 180.0° |
| C24 | C29 | C28 | H50 | 179.6° | 179.4° |
| C23 | C24 | C29 | F31 | 2.9° | 0.1° |
| C24 | C23 | N22 | C30 | 125.5° | 120.0° |
| C24 | C23 | N22 | H46 | 118.7° | 120.0° |
| C24 | C23 | C30 | H46 | 116.9° | 120.0° |
| C24 | C23 | N22 | H45 | 67.6° | 31.0° |
| C23 | C24 | C25 | H47 | 0.2° | 0.2° |
| C24 | C23 | C30 | H52 | 180.0° | 60.0° |
| C24 | C23 | C30 | H51 | 60.0° | 180.0° |
| C24 | C23 | C30 | H53 | 60.0° | 59.9° |
| F31 | C29 | C28 | H50 | 3.5° | 0.6° |
| C12 | C13 | N14 | H36 | 180.0° | 179.9° |
| C13 | C12 | C17 | N16 | 1.6° | 0.0° |
| C12 | C13 | N14 | C15 | 0.5° | 0.0° |
| C13 | C12 | C17 | H37 | 178.4° | 179.9° |
| C17 | C12 | C13 | N14 | 0.9° | 0.0° |
| C12 | C17 | N16 | H37 | 180.0° | 180.0° |
| C12 | C17 | N16 | C15 | 0.8° | 0.0° |
| C17 | C12 | C13 | H36 | 179.1° | 180.0° |
| N22 | C23 | C30 | H46 | 116.2° | 119.9° |
| N22 | C23 | C30 | H52 | 53.2° | 60.1° |
| N22 | C23 | C30 | H51 | 173.2° | 60.0° |
| N22 | C23 | C30 | H53 | 66.9° | 180.0° |
| C13 | N14 | C15 | N16 | 1.3° | 0.0° |
| C13 | N14 | C15 | C18 | 175.1° | 180.0° |
| C30 | C23 | N22 | H45 | 57.9° | 151.1° |
| C23 | C30 | H52 | H51 | 120.0° | 120.0° |
| C23 | C30 | H52 | H53 | 120.0° | 120.0° |
| C23 | C30 | H51 | H53 | 120.0° | 120.1° |
| C17 | N16 | C15 | N14 | 0.7° | 0.0° |
| C17 | N16 | C15 | C18 | 175.8° | 180.0° |
| N14 | C15 | N16 | C18 | 176.5° | 180.0° |
| N14 | C15 | C18 | C19 | 121.9° | 65.0° |
| N14 | C15 | C18 | O21 | 3.0° | 55.0° |
| N14 | C15 | C18 | C20 | 113.1° | 175.0° |
| C15 | N14 | C13 | H36 | 179.5° | 179.9° |
| N16 | C15 | C18 | C19 | 61.4° | 115.0° |
| N16 | C15 | C18 | O21 | 179.7° | 125.0° |
| N16 | C15 | C18 | C20 | 63.6° | 5.0° |
| C15 | N16 | C17 | H37 | 179.2° | 180.0° |
| C15 | C18 | C19 | O21 | 119.1° | 120.0° |
| C15 | C18 | C19 | C20 | 124.8° | 119.9° |
| C15 | C18 | O21 | C20 | 118.4° | 120.0° |
| C15 | C18 | C19 | H38 | 180.0° | 180.0° |
| C15 | C18 | C19 | H39 | 60.0° | 60.0° |
| C15 | C18 | C19 | H40 | 60.0° | 60.0° |
| C15 | C18 | C20 | H42 | 180.0° | 60.0° |
| C15 | C18 | C20 | H43 | 60.0° | 180.0° |
| C15 | C18 | C20 | H41 | 60.0° | 60.0° |
| C15 | C18 | O21 | H44 | 180.0° | 180.0° |
| C19 | C18 | O21 | C20 | 118.7° | 120.1° |
| C18 | C19 | H38 | H39 | 120.0° | 119.9° |
| C18 | C19 | H38 | H40 | 120.0° | 120.0° |
| C18 | C19 | H39 | H40 | 120.0° | 120.0° |
| C19 | C18 | C20 | H42 | 53.3° | 179.9° |
| C19 | C18 | C20 | H43 | 66.7° | 60.0° |
| C19 | C18 | C20 | H41 | 173.3° | 59.9° |
| C19 | C18 | O21 | H44 | 57.1° | 60.1° |
| O21 | C18 | C19 | H38 | 61.0° | 60.0° |
| O21 | C18 | C19 | H39 | 59.1° | 59.9° |
| O21 | C18 | C19 | H40 | 179.0° | 180.0° |
| O21 | C18 | C20 | H42 | 63.3° | 60.0° |
| O21 | C18 | C20 | H43 | 176.7° | 60.0° |
| O21 | C18 | C20 | H41 | 56.7° | 180.0° |
| C20 | C18 | C19 | H38 | 55.2° | 60.0° |
| C20 | C18 | C19 | H39 | 175.2° | 180.0° |
| C20 | C18 | C19 | H40 | 64.8° | 60.0° |
| C18 | C20 | H42 | H43 | 120.0° | 120.0° |
| C18 | C20 | H42 | H41 | 120.0° | 120.1° |
| C18 | C20 | H43 | H41 | 120.0° | 120.0° |
| C20 | C18 | O21 | H44 | 61.6° | 60.0° |
| H38 | C19 | H39 | H40 | 120.0° | 120.1° |
| H42 | C20 | H43 | H41 | 120.0° | 120.0° |
| H46 | C23 | N22 | H45 | 173.7° | 89.0° |
| H46 | C23 | C30 | H52 | 63.1° | 180.0° |
| H46 | C23 | C30 | H51 | 56.9° | 60.0° |
| H46 | C23 | C30 | H53 | 176.9° | 60.1° |
| H49 | C27 | C26 | H48 | 0.2° | 0.3° |
| H49 | C27 | C28 | H50 | 0.6° | 0.0° |
| H32 | C3 | C4 | H33 | 1.0° | 0.1° |
| H47 | C25 | C26 | H48 | 1.3° | 0.0° |
| H52 | C30 | H51 | H53 | 120.0° | 120.0° |
