QVG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.36Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
| C1 | C | sing | 1.40Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C17 | sing | 1.42Å | 1.42Å | Aromatic |
| C4 | N | sing | 1.31Å | 1.32Å | Aromatic |
| C | F | sing | 1.35Å | 1.36Å | |
| C | C18 | doub | 1.36Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C17 | C6 | doub | 1.41Å | 1.43Å | Aromatic |
| N | C5 | doub | 1.32Å | 1.34Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.40Å | |
| N1 | C7 | sing | 1.35Å | 1.35Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | O | doub | 1.21Å | 1.23Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C8 | C16 | sing | 1.51Å | 1.52Å | |
| C10 | O1 | sing | 1.43Å | 1.45Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C11 | sing | 1.36Å | 1.38Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | CL | sing | 1.74Å | 1.73Å | |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | F1 | sing | 1.35Å | 1.35Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 120.9° | 119.6° |
| C2 | C1 | C | 119.1° | 121.0° |
| C1 | C2 | H12 | 119.6° | 120.2° |
| C2 | C1 | H13 | 120.4° | 119.5° |
| C2 | C3 | C4 | 122.9° | 121.9° |
| C2 | C3 | C17 | 118.9° | 119.4° |
| C3 | C2 | H12 | 119.6° | 120.2° |
| C1 | C | F | 118.1° | 119.5° |
| C1 | C | C18 | 123.5° | 120.9° |
| C | C1 | H13 | 120.4° | 119.5° |
| C4 | C3 | C17 | 118.0° | 118.7° |
| C3 | C4 | N | 124.1° | 120.2° |
| C3 | C4 | H2 | 118.0° | 119.9° |
| C3 | C17 | C18 | 118.6° | 119.6° |
| C3 | C17 | C6 | 118.2° | 118.2° |
| C4 | N | C5 | 117.3° | 122.9° |
| N | C4 | H2 | 118.0° | 119.9° |
| F | C | C18 | 118.3° | 119.5° |
| C | C18 | C17 | 118.9° | 119.5° |
| C | C18 | H11 | 120.6° | 120.3° |
| C18 | C17 | C6 | 122.8° | 122.2° |
| C17 | C18 | H11 | 120.5° | 120.2° |
| C17 | C6 | C5 | 116.6° | 118.4° |
| C17 | C6 | N1 | 115.9° | 120.8° |
| N | C5 | C6 | 125.8° | 121.6° |
| N | C5 | H3 | 117.1° | 119.2° |
| C5 | C6 | N1 | 125.8° | 120.8° |
| C6 | C5 | H3 | 117.1° | 119.2° |
| C6 | N1 | C7 | 129.7° | 120.0° |
| C6 | N1 | H1 | 115.1° | 120.0° |
| N1 | C7 | C8 | 115.0° | 120.0° |
| N1 | C7 | O | 122.8° | 120.0° |
| C7 | N1 | H1 | 115.1° | 120.0° |
| C8 | C7 | O | 121.9° | 120.0° |
| C7 | C8 | C9 | 112.6° | 109.5° |
| C7 | C8 | C16 | 106.8° | 109.4° |
| C7 | C8 | H4 | 109.7° | 109.4° |
| C8 | C9 | C10 | 109.7° | 108.3° |
| C9 | C8 | C16 | 108.3° | 109.7° |
| C9 | C8 | H4 | 109.6° | 109.4° |
| C8 | C9 | H9 | 109.4° | 109.7° |
| C8 | C9 | H10 | 109.4° | 109.7° |
| C9 | C10 | O1 | 112.9° | 108.4° |
| C9 | C10 | H5 | 108.6° | 109.6° |
| C9 | C10 | H6 | 108.6° | 109.7° |
| C10 | C9 | H9 | 109.4° | 109.7° |
| C10 | C9 | H10 | 109.4° | 109.7° |
| C8 | C16 | C15 | 121.3° | 118.8° |
| C8 | C16 | C11 | 120.7° | 121.4° |
| C16 | C8 | H4 | 109.9° | 109.4° |
| C10 | O1 | C11 | 117.2° | 117.9° |
| O1 | C10 | H5 | 108.6° | 109.7° |
| O1 | C10 | H6 | 108.6° | 109.7° |
| C15 | C16 | C11 | 118.0° | 119.9° |
| C16 | C15 | C14 | 120.6° | 120.3° |
| C16 | C15 | H7 | 119.7° | 119.9° |
| C16 | C11 | O1 | 123.4° | 121.8° |
| C16 | C11 | C12 | 121.7° | 119.7° |
| C15 | C14 | CL | 120.1° | 120.0° |
| C15 | C14 | C13 | 119.7° | 120.0° |
| C14 | C15 | H7 | 119.7° | 119.8° |
| O1 | C11 | C12 | 115.0° | 118.5° |
| C11 | C12 | C13 | 118.3° | 120.3° |
| C11 | C12 | H8 | 120.8° | 119.8° |
| CL | C14 | C13 | 120.1° | 120.0° |
| C14 | C13 | C12 | 121.7° | 119.8° |
| C14 | C13 | F1 | 119.1° | 120.1° |
| C12 | C13 | F1 | 119.1° | 120.1° |
| C13 | C12 | H8 | 120.8° | 119.9° |
| H5 | C10 | H6 | 109.5° | 109.7° |
| H9 | C9 | H10 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H12 | 180.0° | 179.9° |
| C2 | C1 | C | H13 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 173.6° | 180.0° |
| C1 | C2 | C3 | C17 | 0.9° | 0.0° |
| C2 | C1 | C | F | 178.5° | 179.8° |
| C2 | C1 | C | C18 | 0.8° | 0.2° |
| C3 | C2 | C1 | C | 0.6° | 0.0° |
| C2 | C3 | C4 | C17 | 174.5° | 180.0° |
| C2 | C3 | C4 | N | 172.3° | 179.9° |
| C2 | C3 | C17 | C18 | 0.0° | 0.2° |
| C2 | C3 | C17 | C6 | 172.8° | 179.5° |
| C2 | C3 | C4 | H2 | 7.7° | 0.3° |
| C3 | C2 | C1 | H13 | 179.4° | 180.0° |
| C1 | C | F | C18 | 179.3° | 179.6° |
| C1 | C | C18 | C17 | 1.7° | 0.4° |
| C1 | C | C18 | H11 | 178.3° | 179.2° |
| C | C1 | C2 | H12 | 179.5° | 180.0° |
| C3 | C4 | N | H2 | 180.0° | 179.8° |
| C4 | C3 | C17 | C18 | 174.8° | 179.8° |
| C4 | C3 | C17 | C6 | 1.9° | 0.5° |
| C3 | C4 | N | C5 | 0.2° | 0.2° |
| C4 | C3 | C2 | H12 | 6.4° | 0.0° |
| C17 | C3 | C4 | N | 2.2° | 0.1° |
| C3 | C17 | C18 | C | 1.3° | 0.4° |
| C3 | C17 | C18 | C6 | 172.5° | 179.3° |
| C3 | C17 | C6 | C5 | 0.1° | 0.8° |
| C3 | C17 | C6 | N1 | 166.4° | 179.8° |
| C17 | C3 | C4 | H2 | 177.8° | 179.7° |
| C3 | C17 | C18 | H11 | 178.7° | 179.2° |
| C17 | C3 | C2 | H12 | 179.1° | 179.9° |
| C4 | N | C5 | C6 | 2.1° | 0.1° |
| C4 | N | C5 | H3 | 177.9° | 180.0° |
| F | C | C18 | C17 | 177.6° | 180.0° |
| F | C | C18 | H11 | 2.4° | 0.4° |
| F | C | C1 | H13 | 1.5° | 0.2° |
| C | C18 | C17 | H11 | 180.0° | 179.6° |
| C | C18 | C17 | C6 | 171.2° | 179.6° |
| C18 | C | C1 | H13 | 179.3° | 179.9° |
| C18 | C17 | C6 | C5 | 172.4° | 180.0° |
| C18 | C17 | C6 | N1 | 6.2° | 0.5° |
| C17 | C6 | C5 | N | 2.2° | 0.6° |
| C17 | C6 | C5 | N1 | 164.7° | 179.5° |
| C17 | C6 | N1 | C7 | 129.9° | 158.8° |
| C17 | C6 | N1 | H1 | 50.1° | 20.9° |
| C17 | C6 | C5 | H3 | 177.8° | 179.5° |
| C6 | C17 | C18 | H11 | 8.8° | 0.0° |
| N | C5 | C6 | H3 | 180.0° | 179.9° |
| N | C5 | C6 | N1 | 167.0° | 180.0° |
| C5 | N | C4 | H2 | 179.7° | 179.9° |
| C5 | C6 | N1 | C7 | 35.0° | 20.7° |
| C5 | C6 | N1 | H1 | 145.0° | 159.6° |
| C6 | N1 | C7 | H1 | 180.0° | 179.7° |
| C6 | N1 | C7 | C8 | 163.1° | 178.4° |
| C6 | N1 | C7 | O | 23.2° | 1.5° |
| N1 | C6 | C5 | H3 | 13.1° | 0.0° |
| N1 | C7 | C8 | O | 173.7° | 179.9° |
| N1 | C7 | C8 | C9 | 58.8° | 159.2° |
| N1 | C7 | C8 | C16 | 177.5° | 80.6° |
| N1 | C7 | C8 | H4 | 63.5° | 39.3° |
| C7 | C8 | C9 | C16 | 117.8° | 120.1° |
| C7 | C8 | C9 | H4 | 122.4° | 119.9° |
| C7 | C8 | C9 | C10 | 66.1° | 168.2° |
| C7 | C8 | C16 | H4 | 118.9° | 119.9° |
| C7 | C8 | C16 | C15 | 83.2° | 42.1° |
| C7 | C8 | C16 | C11 | 96.9° | 137.9° |
| C8 | C7 | N1 | H1 | 16.9° | 1.3° |
| C7 | C8 | C9 | H9 | 53.9° | 48.5° |
| C7 | C8 | C9 | H10 | 173.8° | 72.1° |
| O | C7 | C8 | C9 | 114.9° | 20.7° |
| O | C7 | C8 | C16 | 3.8° | 99.5° |
| O | C7 | N1 | H1 | 156.8° | 178.8° |
| O | C7 | C8 | H4 | 122.8° | 140.7° |
| C8 | C9 | C10 | H9 | 120.0° | 119.7° |
| C8 | C9 | C10 | H10 | 120.1° | 119.7° |
| C9 | C8 | C16 | H4 | 119.6° | 120.0° |
| C8 | C9 | C10 | O1 | 59.9° | 64.7° |
| C9 | C8 | C16 | C15 | 155.4° | 162.2° |
| C9 | C8 | C16 | C11 | 24.6° | 17.8° |
| C8 | C9 | C10 | H5 | 60.6° | 55.1° |
| C8 | C9 | C10 | H6 | 179.6° | 175.5° |
| C8 | C9 | H9 | H10 | 119.9° | 120.6° |
| C10 | C9 | C8 | C16 | 51.7° | 48.1° |
| C9 | C10 | O1 | H5 | 120.5° | 119.7° |
| C9 | C10 | O1 | H6 | 120.5° | 119.7° |
| C9 | C10 | O1 | C11 | 36.3° | 49.2° |
| C10 | C9 | C8 | H4 | 171.5° | 71.9° |
| C9 | C10 | H5 | H6 | 118.5° | 120.5° |
| C10 | C9 | H9 | H10 | 119.9° | 120.6° |
| C8 | C16 | C15 | C11 | 179.9° | 180.0° |
| C8 | C16 | C15 | C14 | 179.9° | 179.9° |
| C8 | C16 | C11 | O1 | 1.4° | 0.5° |
| C8 | C16 | C11 | C12 | 179.6° | 179.8° |
| C8 | C16 | C15 | H7 | 0.1° | 0.1° |
| C16 | C8 | C9 | H9 | 171.7° | 71.5° |
| C16 | C8 | C9 | H10 | 68.4° | 167.9° |
| C10 | O1 | C11 | C16 | 6.7° | 17.3° |
| C10 | O1 | C11 | C12 | 175.1° | 163.0° |
| O1 | C10 | H5 | H6 | 118.5° | 120.6° |
| O1 | C10 | C9 | H9 | 179.9° | 54.9° |
| O1 | C10 | C9 | H10 | 60.2° | 175.6° |
| C16 | C15 | C14 | H7 | 180.0° | 180.0° |
| C15 | C16 | C11 | O1 | 178.5° | 179.5° |
| C15 | C16 | C11 | C12 | 0.4° | 0.2° |
| C16 | C15 | C14 | CL | 175.3° | 180.0° |
| C16 | C15 | C14 | C13 | 1.2° | 0.1° |
| C15 | C16 | C8 | H4 | 35.7° | 77.7° |
| C11 | C16 | C15 | C14 | 0.2° | 0.1° |
| C16 | C11 | O1 | C12 | 178.3° | 179.7° |
| C16 | C11 | C12 | C13 | 0.1° | 0.1° |
| C11 | C16 | C8 | H4 | 144.2° | 102.3° |
| C11 | C16 | C15 | H7 | 179.8° | 179.9° |
| C16 | C11 | C12 | H8 | 179.8° | 179.8° |
| C15 | C14 | CL | C13 | 176.5° | 180.0° |
| C15 | C14 | C13 | C12 | 1.7° | 0.1° |
| C15 | C14 | C13 | F1 | 174.3° | 179.9° |
| O1 | C11 | C12 | C13 | 178.2° | 179.6° |
| C11 | O1 | C10 | H5 | 84.2° | 70.5° |
| C11 | O1 | C10 | H6 | 156.8° | 169.0° |
| O1 | C11 | C12 | H8 | 1.9° | 0.4° |
| C11 | C12 | C13 | C14 | 1.2° | 0.1° |
| C11 | C12 | C13 | H8 | 180.0° | 179.9° |
| C11 | C12 | C13 | F1 | 174.9° | 180.0° |
| CL | C14 | C13 | C12 | 174.8° | 179.9° |
| CL | C14 | C13 | F1 | 9.1° | 0.1° |
| CL | C14 | C15 | H7 | 4.6° | 0.0° |
| C14 | C13 | C12 | F1 | 176.1° | 180.0° |
| C13 | C14 | C15 | H7 | 178.8° | 180.0° |
| C14 | C13 | C12 | H8 | 178.8° | 180.0° |
| F1 | C13 | C12 | H8 | 5.1° | 0.0° |
| H4 | C8 | C9 | H9 | 68.5° | 168.5° |
| H4 | C8 | C9 | H10 | 51.4° | 47.9° |
| H5 | C10 | C9 | H9 | 59.5° | 174.7° |
| H5 | C10 | C9 | H10 | 179.4° | 64.7° |
| H6 | C10 | C9 | H9 | 59.6° | 64.8° |
| H6 | C10 | C9 | H10 | 60.3° | 55.8° |
| H12 | C2 | C1 | H13 | 0.6° | 0.0° |
