GFQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C19 | sing | 1.40Å | 1.32Å | |
| F1 | C19 | sing | 1.40Å | 1.32Å | |
| O1 | C16 | doub | 1.22Å | 1.28Å | |
| C19 | F3 | sing | 1.40Å | 1.33Å | |
| C19 | C18 | sing | 1.53Å | 1.49Å | |
| C12 | C11 | doub | 1.37Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C13 | sing | 1.48Å | 1.49Å | |
| C16 | N2 | sing | 1.35Å | 1.34Å | |
| C17 | N2 | sing | 1.47Å | 1.43Å | |
| C11 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.51Å | 1.49Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| N1 | C7 | doub | 1.29Å | 1.33Å | Aromatic |
| N1 | C8 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | C2 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C10 | C8 | sing | 1.48Å | 1.48Å | |
| C10 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.37Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C7 | S1 | sing | 1.71Å | 1.74Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.36Å | Aromatic |
| C9 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C19 | F1 | 106.7° | 109.5° |
| F2 | C19 | F3 | 104.4° | 109.5° |
| F2 | C19 | C18 | 114.6° | 109.5° |
| F1 | C19 | F3 | 108.0° | 109.4° |
| F1 | C19 | C18 | 111.6° | 109.5° |
| O1 | C16 | C13 | 118.9° | 120.0° |
| O1 | C16 | N2 | 119.2° | 120.0° |
| F3 | C19 | C18 | 111.1° | 109.5° |
| C19 | C18 | C17 | 111.3° | 109.5° |
| C19 | C18 | H22 | 109.0° | 109.5° |
| C19 | C18 | H23 | 109.0° | 109.4° |
| C11 | C12 | C13 | 122.0° | 120.0° |
| C12 | C11 | C10 | 120.5° | 120.0° |
| C12 | C11 | H8 | 119.8° | 120.0° |
| C11 | C12 | H10 | 119.0° | 120.0° |
| C12 | C13 | C16 | 121.9° | 120.0° |
| C12 | C13 | C14 | 117.6° | 119.9° |
| C13 | C12 | H10 | 119.0° | 120.0° |
| C18 | C17 | N2 | 111.1° | 109.5° |
| C18 | C17 | H20 | 109.1° | 109.5° |
| C18 | C17 | H21 | 109.1° | 109.5° |
| C17 | C18 | H22 | 109.0° | 109.5° |
| C17 | C18 | H23 | 109.0° | 109.4° |
| C13 | C16 | N2 | 121.8° | 120.0° |
| C16 | C13 | C14 | 120.4° | 120.0° |
| C16 | N2 | C17 | 120.6° | 120.0° |
| C16 | N2 | H11 | 119.7° | 120.0° |
| C17 | N2 | H11 | 119.7° | 120.0° |
| N2 | C17 | H20 | 109.1° | 109.5° |
| N2 | C17 | H21 | 109.1° | 109.5° |
| C11 | C10 | C8 | 118.9° | 120.0° |
| C11 | C10 | C15 | 117.8° | 120.0° |
| C10 | C11 | H8 | 119.8° | 119.9° |
| C13 | C14 | C15 | 120.9° | 119.9° |
| C13 | C14 | H3 | 119.6° | 120.0° |
| C3 | C2 | C4 | 110.6° | 109.5° |
| C3 | C2 | C1 | 110.0° | 109.5° |
| C2 | C3 | H12 | 109.5° | 109.5° |
| C2 | C3 | H13 | 109.4° | 109.5° |
| C2 | C3 | H14 | 109.5° | 109.5° |
| C3 | C2 | H18 | 107.6° | 109.4° |
| C7 | C6 | C5 | 108.8° | 109.5° |
| C6 | C7 | N1 | 122.5° | 124.7° |
| C6 | C7 | S1 | 127.5° | 124.8° |
| C7 | C6 | H6 | 109.7° | 109.5° |
| C7 | C6 | H7 | 109.7° | 109.4° |
| C6 | C5 | C4 | 111.0° | 109.5° |
| C6 | C5 | H4 | 109.1° | 109.4° |
| C6 | C5 | H5 | 109.1° | 109.5° |
| C5 | C6 | H6 | 109.6° | 109.5° |
| C5 | C6 | H7 | 109.6° | 109.5° |
| C7 | N1 | C8 | 113.4° | 117.2° |
| N1 | C7 | S1 | 109.9° | 110.5° |
| N1 | C8 | C10 | 121.5° | 123.0° |
| N1 | C8 | C9 | 117.6° | 114.0° |
| C2 | C4 | C5 | 108.8° | 109.5° |
| C4 | C2 | C1 | 113.3° | 109.5° |
| C2 | C4 | H1 | 109.6° | 109.4° |
| C2 | C4 | H2 | 109.6° | 109.5° |
| C4 | C2 | H18 | 107.5° | 109.5° |
| C5 | C4 | H1 | 109.6° | 109.5° |
| C5 | C4 | H2 | 109.7° | 109.5° |
| C4 | C5 | H4 | 109.1° | 109.5° |
| C4 | C5 | H5 | 109.1° | 109.5° |
| C8 | C10 | C15 | 123.2° | 120.0° |
| C10 | C8 | C9 | 120.7° | 123.0° |
| C10 | C15 | C14 | 120.9° | 120.1° |
| C10 | C15 | H19 | 119.5° | 120.0° |
| C15 | C14 | H3 | 119.5° | 120.1° |
| C14 | C15 | H19 | 119.6° | 120.0° |
| C2 | C1 | H15 | 109.5° | 109.4° |
| C2 | C1 | H16 | 109.5° | 109.4° |
| C2 | C1 | H17 | 109.5° | 109.4° |
| C1 | C2 | H18 | 107.6° | 109.4° |
| C7 | S1 | C9 | 92.0° | 90.5° |
| C8 | C9 | S1 | 107.0° | 107.9° |
| C8 | C9 | H9 | 126.5° | 126.0° |
| S1 | C9 | H9 | 126.5° | 126.1° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.4° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H12 | C3 | H13 | 109.5° | 109.4° |
| H12 | C3 | H14 | 109.5° | 109.5° |
| H13 | C3 | H14 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H17 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C19 | F1 | F3 | 111.8° | 120.0° |
| F2 | C19 | F1 | C18 | 125.9° | 120.1° |
| F2 | C19 | F3 | C18 | 124.0° | 120.1° |
| F2 | C19 | C18 | C17 | 53.5° | 60.0° |
| F2 | C19 | C18 | H22 | 173.7° | 180.0° |
| F2 | C19 | C18 | H23 | 66.8° | 60.0° |
| F1 | C19 | F3 | C18 | 122.7° | 120.0° |
| F1 | C19 | C18 | C17 | 174.9° | 180.0° |
| F1 | C19 | C18 | H22 | 64.9° | 59.9° |
| F1 | C19 | C18 | H23 | 54.6° | 60.1° |
| O1 | C16 | C13 | C12 | 16.3° | 0.1° |
| O1 | C16 | C13 | N2 | 176.4° | 179.9° |
| O1 | C16 | N2 | C17 | 4.0° | 0.1° |
| O1 | C16 | C13 | C14 | 167.7° | 180.0° |
| O1 | C16 | N2 | H11 | 176.0° | 179.9° |
| F3 | C19 | C18 | C17 | 64.6° | 60.0° |
| F3 | C19 | C18 | H22 | 55.7° | 60.0° |
| F3 | C19 | C18 | H23 | 175.1° | 180.0° |
| C19 | C18 | C17 | H22 | 120.3° | 120.0° |
| C19 | C18 | C17 | H23 | 120.3° | 119.9° |
| C19 | C18 | C17 | N2 | 163.1° | 180.0° |
| C19 | C18 | C17 | H20 | 42.9° | 60.0° |
| C19 | C18 | C17 | H21 | 76.6° | 60.0° |
| C19 | C18 | H22 | H23 | 119.2° | 120.0° |
| C11 | C12 | C13 | H10 | 180.0° | 179.3° |
| C11 | C12 | C13 | C16 | 178.9° | 179.4° |
| C12 | C11 | C10 | H8 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 5.0° | 0.5° |
| C12 | C11 | C10 | C8 | 177.6° | 180.0° |
| C12 | C11 | C10 | C15 | 5.2° | 0.5° |
| C12 | C13 | C16 | C14 | 176.0° | 180.0° |
| C12 | C13 | C16 | N2 | 167.4° | 180.0° |
| C13 | C12 | C11 | C10 | 5.5° | 0.7° |
| C12 | C13 | C14 | C15 | 4.4° | 0.0° |
| C12 | C13 | C14 | H3 | 175.6° | 179.7° |
| C13 | C12 | C11 | H8 | 174.5° | 179.2° |
| C18 | C17 | N2 | C16 | 83.9° | 180.0° |
| C18 | C17 | N2 | H20 | 120.3° | 120.0° |
| C18 | C17 | N2 | H21 | 120.2° | 120.0° |
| C18 | C17 | N2 | H11 | 96.1° | 0.0° |
| C18 | C17 | H20 | H21 | 119.2° | 120.0° |
| C17 | C18 | H22 | H23 | 119.2° | 120.0° |
| C13 | C16 | N2 | C17 | 172.4° | 180.0° |
| C16 | C13 | C14 | C15 | 179.4° | 179.9° |
| C16 | C13 | C14 | H3 | 0.6° | 0.3° |
| C16 | C13 | C12 | H10 | 1.1° | 0.2° |
| C13 | C16 | N2 | H11 | 7.6° | 0.0° |
| C16 | N2 | C17 | H11 | 180.0° | 180.0° |
| N2 | C16 | C13 | C14 | 8.7° | 0.1° |
| C16 | N2 | C17 | H20 | 36.4° | 60.1° |
| C16 | N2 | C17 | H21 | 155.9° | 59.9° |
| N2 | C17 | H20 | H21 | 119.3° | 120.0° |
| N2 | C17 | C18 | H22 | 76.6° | 60.0° |
| N2 | C17 | C18 | H23 | 42.9° | 60.0° |
| C11 | C10 | C8 | N1 | 10.0° | 174.9° |
| C11 | C10 | C8 | C15 | 177.0° | 179.5° |
| C11 | C10 | C15 | C14 | 4.7° | 0.0° |
| C11 | C10 | C8 | C9 | 164.3° | 4.9° |
| C10 | C11 | C12 | H10 | 174.5° | 180.0° |
| C11 | C10 | C15 | H19 | 175.3° | 180.0° |
| C13 | C14 | C15 | C10 | 4.4° | 0.2° |
| C13 | C14 | C15 | H3 | 180.0° | 179.8° |
| C14 | C13 | C12 | H10 | 175.0° | 179.8° |
| C13 | C14 | C15 | H19 | 175.6° | 179.7° |
| C3 | C2 | C4 | C1 | 124.1° | 120.0° |
| C3 | C2 | C4 | H18 | 117.2° | 120.0° |
| C3 | C2 | C4 | C5 | 81.9° | 175.0° |
| C3 | C2 | C1 | H18 | 117.0° | 120.0° |
| C3 | C2 | C4 | H1 | 38.0° | 55.0° |
| C3 | C2 | C4 | H2 | 158.2° | 65.0° |
| C2 | C3 | H12 | H13 | 120.0° | 120.0° |
| C2 | C3 | H12 | H14 | 120.0° | 120.0° |
| C2 | C3 | H13 | H14 | 120.0° | 120.0° |
| C3 | C2 | C1 | H15 | 180.0° | 60.0° |
| C3 | C2 | C1 | H16 | 60.0° | 180.0° |
| C3 | C2 | C1 | H17 | 60.0° | 60.0° |
| C7 | C6 | C5 | H6 | 119.9° | 120.0° |
| C7 | C6 | C5 | H7 | 119.9° | 119.9° |
| C6 | C7 | N1 | S1 | 176.7° | 179.8° |
| C6 | C7 | N1 | C8 | 179.8° | 180.0° |
| C7 | C6 | C5 | C4 | 83.5° | 180.0° |
| C6 | C7 | S1 | C9 | 178.5° | 180.0° |
| C7 | C6 | C5 | H4 | 156.3° | 60.0° |
| C7 | C6 | C5 | H5 | 36.8° | 60.0° |
| C7 | C6 | H6 | H7 | 120.4° | 120.0° |
| C5 | C6 | C7 | N1 | 142.3° | 90.3° |
| C6 | C5 | C4 | C2 | 158.6° | 180.0° |
| C6 | C5 | C4 | H4 | 120.3° | 120.0° |
| C6 | C5 | C4 | H5 | 120.2° | 120.0° |
| C5 | C6 | C7 | S1 | 41.5° | 90.0° |
| C6 | C5 | C4 | H1 | 38.7° | 60.0° |
| C6 | C5 | C4 | H2 | 81.5° | 60.0° |
| C6 | C5 | H4 | H5 | 119.3° | 120.0° |
| C5 | C6 | H6 | H7 | 120.3° | 120.0° |
| C7 | N1 | C8 | C10 | 177.4° | 179.8° |
| C7 | N1 | C8 | C9 | 2.9° | 0.0° |
| N1 | C7 | S1 | C9 | 2.0° | 0.3° |
| N1 | C7 | C6 | H6 | 22.5° | 29.8° |
| N1 | C7 | C6 | H7 | 97.8° | 149.8° |
| N1 | C8 | C10 | C9 | 174.3° | 179.8° |
| N1 | C8 | C10 | C15 | 167.1° | 4.6° |
| C8 | N1 | C7 | S1 | 3.1° | 0.2° |
| N1 | C8 | C9 | S1 | 1.3° | 0.2° |
| N1 | C8 | C9 | H9 | 178.8° | 179.8° |
| C2 | C4 | C5 | H1 | 119.9° | 120.0° |
| C2 | C4 | C5 | H2 | 119.9° | 120.0° |
| C4 | C2 | C1 | H18 | 118.7° | 120.0° |
| C2 | C4 | H1 | H2 | 120.3° | 120.0° |
| C2 | C4 | C5 | H4 | 38.3° | 60.0° |
| C2 | C4 | C5 | H5 | 81.2° | 60.0° |
| C4 | C2 | C3 | H12 | 180.0° | 60.0° |
| C4 | C2 | C3 | H13 | 60.0° | 180.0° |
| C4 | C2 | C3 | H14 | 60.0° | 60.0° |
| C4 | C2 | C1 | H15 | 55.6° | 60.0° |
| C4 | C2 | C1 | H16 | 175.6° | 60.0° |
| C4 | C2 | C1 | H17 | 64.4° | 180.0° |
| C5 | C4 | C2 | C1 | 42.1° | 65.0° |
| C5 | C4 | H1 | H2 | 120.3° | 120.0° |
| C4 | C5 | H4 | H5 | 119.3° | 120.0° |
| C4 | C5 | C6 | H6 | 36.4° | 60.0° |
| C4 | C5 | C6 | H7 | 156.6° | 60.0° |
| C5 | C4 | C2 | H18 | 160.8° | 55.0° |
| C8 | C10 | C15 | C14 | 178.3° | 179.5° |
| C10 | C8 | C9 | S1 | 175.8° | 180.0° |
| C8 | C10 | C11 | H8 | 2.3° | 0.1° |
| C10 | C8 | C9 | H9 | 4.3° | 0.0° |
| C8 | C10 | C15 | H19 | 1.7° | 0.5° |
| C10 | C15 | C14 | H19 | 180.0° | 180.0° |
| C15 | C10 | C8 | C9 | 18.7° | 175.6° |
| C10 | C15 | C14 | H3 | 175.6° | 180.0° |
| C15 | C10 | C11 | H8 | 174.9° | 179.4° |
| C1 | C2 | C4 | H1 | 162.0° | 175.0° |
| C1 | C2 | C4 | H2 | 77.8° | 55.0° |
| C1 | C2 | C3 | H12 | 54.1° | 60.0° |
| C1 | C2 | C3 | H13 | 174.1° | 60.0° |
| C1 | C2 | C3 | H14 | 65.9° | 180.0° |
| C2 | C1 | H15 | H16 | 120.0° | 119.9° |
| C2 | C1 | H15 | H17 | 120.0° | 120.0° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C7 | S1 | C9 | C8 | 0.5° | 0.2° |
| S1 | C7 | C6 | H6 | 161.4° | 150.0° |
| S1 | C7 | C6 | H7 | 78.4° | 30.0° |
| C7 | S1 | C9 | H9 | 179.5° | 179.8° |
| C8 | C9 | S1 | H9 | 180.0° | 180.0° |
| H1 | C4 | C5 | H4 | 81.6° | 60.0° |
| H1 | C4 | C5 | H5 | 158.9° | 180.0° |
| H1 | C4 | C2 | H18 | 79.3° | 65.0° |
| H2 | C4 | C5 | H4 | 158.2° | 180.0° |
| H2 | C4 | C5 | H5 | 38.7° | 60.0° |
| H2 | C4 | C2 | H18 | 41.0° | 175.0° |
| H3 | C14 | C15 | H19 | 4.5° | 0.0° |
| H4 | C5 | C6 | H6 | 83.8° | 180.0° |
| H4 | C5 | C6 | H7 | 36.4° | 60.0° |
| H5 | C5 | C6 | H6 | 156.7° | 60.1° |
| H5 | C5 | C6 | H7 | 83.1° | 179.9° |
| H8 | C11 | C12 | H10 | 5.5° | 0.1° |
| H11 | N2 | C17 | H20 | 143.6° | 120.0° |
| H11 | N2 | C17 | H21 | 24.1° | 120.0° |
| H12 | C3 | H13 | H14 | 120.0° | 120.0° |
| H12 | C3 | C2 | H18 | 62.9° | 180.0° |
| H13 | C3 | C2 | H18 | 57.2° | 60.0° |
| H14 | C3 | C2 | H18 | 177.1° | 60.0° |
| H15 | C1 | H16 | H17 | 120.0° | 120.1° |
| H15 | C1 | C2 | H18 | 63.0° | 180.0° |
| H16 | C1 | C2 | H18 | 57.0° | 60.0° |
| H17 | C1 | C2 | H18 | 177.0° | 60.0° |
| H20 | C17 | C18 | H22 | 163.1° | 180.0° |
| H20 | C17 | C18 | H23 | 77.4° | 60.0° |
| H21 | C17 | C18 | H22 | 43.6° | 60.0° |
| H21 | C17 | C18 | H23 | 163.1° | 180.0° |
