GJ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C1 | sing | 1.40Å | 1.32Å | |
| F3 | C1 | sing | 1.40Å | 1.36Å | |
| O1 | C4 | doub | 1.22Å | 1.25Å | |
| C1 | F1 | sing | 1.40Å | 1.36Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.37Å | 1.37Å | Aromatic |
| C10 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.49Å | |
| C4 | N1 | sing | 1.35Å | 1.33Å | |
| C3 | N1 | sing | 1.47Å | 1.46Å | |
| C9 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| N2 | C14 | sing | 1.46Å | 1.45Å | |
| N2 | S2 | sing | 1.66Å | 1.75Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | S2 | sing | 1.76Å | 1.77Å | |
| N3 | C13 | doub | 1.29Å | 1.35Å | Aromatic |
| N3 | C11 | sing | 1.33Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.49Å | |
| C8 | C11 | sing | 1.48Å | 1.48Å | |
| C8 | C7 | doub | 1.40Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.37Å | 1.41Å | Aromatic |
| S2 | O2 | doub | 1.42Å | 1.47Å | |
| S2 | O3 | doub | 1.42Å | 1.48Å | |
| C13 | S1 | sing | 1.71Å | 1.72Å | Aromatic |
| C11 | C12 | doub | 1.35Å | 1.38Å | Aromatic |
| C12 | S1 | sing | 1.76Å | 1.75Å | Aromatic |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C1 | F3 | 106.7° | 109.5° |
| F2 | C1 | F1 | 109.4° | 109.5° |
| F2 | C1 | C2 | 111.0° | 109.4° |
| F3 | C1 | F1 | 109.1° | 109.5° |
| F3 | C1 | C2 | 111.5° | 109.4° |
| O1 | C4 | C5 | 120.5° | 120.0° |
| O1 | C4 | N1 | 120.8° | 120.1° |
| F1 | C1 | C2 | 109.0° | 109.5° |
| C1 | C2 | C3 | 114.9° | 109.4° |
| C1 | C2 | H12 | 108.1° | 109.5° |
| C1 | C2 | H13 | 108.1° | 109.5° |
| C18 | C17 | C16 | 119.0° | 120.0° |
| C17 | C18 | C19 | 120.9° | 120.0° |
| C18 | C17 | H15 | 120.5° | 120.1° |
| C17 | C18 | H16 | 119.6° | 120.0° |
| C17 | C16 | C15 | 119.9° | 120.0° |
| C17 | C16 | H14 | 120.0° | 120.0° |
| C16 | C17 | H15 | 120.5° | 120.0° |
| C2 | C3 | N1 | 112.8° | 109.4° |
| C2 | C3 | H10 | 108.6° | 109.4° |
| C2 | C3 | H11 | 108.6° | 109.5° |
| C3 | C2 | H12 | 108.1° | 109.5° |
| C3 | C2 | H13 | 108.1° | 109.5° |
| C18 | C19 | C20 | 120.1° | 120.0° |
| C19 | C18 | H16 | 119.6° | 120.0° |
| C18 | C19 | H17 | 120.0° | 120.0° |
| C16 | C15 | C20 | 120.9° | 120.0° |
| C16 | C15 | S2 | 121.8° | 120.0° |
| C15 | C16 | H14 | 120.1° | 120.0° |
| C9 | C10 | C5 | 120.5° | 119.9° |
| C10 | C9 | C8 | 120.7° | 120.0° |
| C10 | C9 | H5 | 119.6° | 120.0° |
| C9 | C10 | H6 | 119.8° | 120.0° |
| C10 | C5 | C4 | 119.2° | 120.0° |
| C10 | C5 | C6 | 119.3° | 120.0° |
| C5 | C10 | H6 | 119.8° | 120.1° |
| C5 | C4 | N1 | 118.7° | 120.0° |
| C4 | C5 | C6 | 121.5° | 120.0° |
| C4 | N1 | C3 | 121.2° | 119.9° |
| C4 | N1 | H8 | 119.4° | 120.0° |
| C3 | N1 | H8 | 119.4° | 120.0° |
| N1 | C3 | H10 | 108.6° | 109.5° |
| N1 | C3 | H11 | 108.6° | 109.5° |
| C9 | C8 | C11 | 118.6° | 120.0° |
| C9 | C8 | C7 | 119.9° | 120.1° |
| C8 | C9 | H5 | 119.7° | 120.0° |
| C5 | C6 | C7 | 119.8° | 120.0° |
| C5 | C6 | H3 | 120.1° | 120.0° |
| C14 | N2 | S2 | 118.0° | 120.0° |
| N2 | C14 | C13 | 106.9° | 109.5° |
| N2 | C14 | H1 | 110.1° | 109.4° |
| N2 | C14 | H2 | 110.1° | 109.5° |
| C14 | N2 | H9 | 107.3° | 120.0° |
| N2 | S2 | C15 | 96.9° | 107.2° |
| N2 | S2 | O2 | 110.7° | 106.4° |
| N2 | S2 | O3 | 116.9° | 106.4° |
| S2 | N2 | H9 | 107.3° | 120.0° |
| C19 | C20 | C15 | 119.2° | 120.0° |
| C20 | C19 | H17 | 120.0° | 120.0° |
| C19 | C20 | H18 | 120.4° | 120.0° |
| C20 | C15 | S2 | 117.2° | 120.0° |
| C15 | C20 | H18 | 120.4° | 119.9° |
| C15 | S2 | O2 | 116.6° | 106.4° |
| C15 | S2 | O3 | 104.5° | 106.4° |
| C13 | N3 | C11 | 112.4° | 117.1° |
| N3 | C13 | C14 | 127.4° | 124.8° |
| N3 | C13 | S1 | 113.2° | 110.5° |
| N3 | C11 | C8 | 121.8° | 123.0° |
| N3 | C11 | C12 | 114.7° | 114.1° |
| C14 | C13 | S1 | 119.4° | 124.7° |
| C13 | C14 | H1 | 110.1° | 109.5° |
| C13 | C14 | H2 | 110.1° | 109.5° |
| C11 | C8 | C7 | 121.4° | 120.0° |
| C8 | C11 | C12 | 123.6° | 123.0° |
| C8 | C7 | C6 | 119.8° | 120.0° |
| C8 | C7 | H4 | 120.1° | 120.0° |
| C7 | C6 | H3 | 120.1° | 120.0° |
| C6 | C7 | H4 | 120.1° | 120.0° |
| O2 | S2 | O3 | 110.7° | 123.2° |
| C13 | S1 | C12 | 90.4° | 90.4° |
| C11 | C12 | S1 | 109.2° | 107.8° |
| C11 | C12 | H7 | 125.4° | 126.1° |
| S1 | C12 | H7 | 125.4° | 126.1° |
| H1 | C14 | H2 | 109.5° | 109.4° |
| H10 | C3 | H11 | 109.4° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C1 | F3 | F1 | 118.1° | 120.1° |
| F2 | C1 | F3 | C2 | 121.4° | 120.0° |
| F2 | C1 | F1 | C2 | 121.5° | 120.0° |
| F2 | C1 | C2 | C3 | 48.7° | 60.0° |
| F2 | C1 | C2 | H12 | 169.5° | 180.0° |
| F2 | C1 | C2 | H13 | 72.1° | 60.0° |
| F3 | C1 | F1 | C2 | 122.0° | 119.9° |
| F3 | C1 | C2 | C3 | 167.5° | 180.0° |
| F3 | C1 | C2 | H12 | 71.7° | 60.0° |
| F3 | C1 | C2 | H13 | 46.7° | 60.0° |
| O1 | C4 | C5 | C10 | 15.3° | 179.5° |
| O1 | C4 | C5 | N1 | 178.4° | 179.8° |
| O1 | C4 | N1 | C3 | 4.8° | 0.3° |
| O1 | C4 | C5 | C6 | 166.1° | 0.2° |
| O1 | C4 | N1 | H8 | 175.2° | 179.8° |
| F1 | C1 | C2 | C3 | 71.9° | 60.0° |
| F1 | C1 | C2 | H12 | 48.9° | 60.0° |
| F1 | C1 | C2 | H13 | 167.3° | 180.0° |
| C1 | C2 | C3 | H12 | 120.8° | 120.0° |
| C1 | C2 | C3 | H13 | 120.8° | 120.0° |
| C1 | C2 | C3 | N1 | 161.3° | 180.0° |
| C1 | C2 | C3 | H10 | 40.8° | 60.0° |
| C1 | C2 | C3 | H11 | 78.1° | 60.0° |
| C1 | C2 | H12 | H13 | 117.5° | 120.0° |
| C18 | C17 | C16 | H15 | 180.0° | 180.0° |
| C17 | C18 | C19 | H16 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 2.4° | 0.1° |
| C17 | C18 | C19 | C20 | 1.1° | 0.1° |
| C18 | C17 | C16 | H14 | 177.6° | 180.0° |
| C17 | C18 | C19 | H17 | 178.8° | 180.0° |
| C16 | C17 | C18 | C19 | 1.8° | 0.0° |
| C17 | C16 | C15 | H14 | 180.0° | 179.9° |
| C17 | C16 | C15 | C20 | 2.5° | 0.1° |
| C17 | C16 | C15 | S2 | 178.2° | 179.8° |
| C16 | C17 | C18 | H16 | 178.2° | 180.0° |
| C2 | C3 | N1 | C4 | 78.8° | 180.0° |
| C2 | C3 | N1 | H10 | 120.5° | 119.9° |
| C2 | C3 | N1 | H11 | 120.5° | 120.0° |
| C2 | C3 | N1 | H8 | 101.2° | 0.1° |
| C2 | C3 | H10 | H11 | 118.5° | 120.0° |
| C3 | C2 | H12 | H13 | 117.6° | 120.0° |
| C18 | C19 | C20 | H17 | 180.0° | 179.9° |
| C18 | C19 | C20 | C15 | 1.1° | 0.1° |
| C19 | C18 | C17 | H15 | 178.2° | 179.9° |
| C18 | C19 | C20 | H18 | 178.9° | 179.8° |
| C16 | C15 | S2 | N2 | 44.1° | 89.7° |
| C16 | C15 | C20 | C19 | 1.8° | 0.0° |
| C16 | C15 | C20 | S2 | 175.9° | 179.7° |
| C16 | C15 | S2 | O2 | 73.2° | 156.8° |
| C16 | C15 | S2 | O3 | 164.2° | 23.8° |
| C15 | C16 | C17 | H15 | 177.6° | 179.9° |
| C16 | C15 | C20 | H18 | 178.2° | 179.7° |
| C9 | C10 | C5 | H6 | 180.0° | 179.4° |
| C9 | C10 | C5 | C4 | 179.5° | 179.7° |
| C10 | C9 | C8 | H5 | 180.0° | 179.7° |
| C9 | C10 | C5 | C6 | 1.8° | 0.6° |
| C10 | C9 | C8 | C11 | 178.4° | 179.7° |
| C10 | C9 | C8 | C7 | 1.3° | 0.3° |
| C10 | C5 | C4 | C6 | 178.7° | 179.6° |
| C10 | C5 | C4 | N1 | 166.4° | 0.3° |
| C5 | C10 | C9 | C8 | 0.3° | 0.6° |
| C10 | C5 | C6 | C7 | 1.7° | 0.4° |
| C10 | C5 | C6 | H3 | 178.3° | 179.7° |
| C5 | C10 | C9 | H5 | 179.7° | 179.6° |
| C5 | C4 | N1 | C3 | 173.5° | 179.9° |
| C4 | C5 | C6 | C7 | 179.6° | 180.0° |
| C4 | C5 | C6 | H3 | 0.4° | 0.1° |
| C4 | C5 | C10 | H6 | 0.5° | 0.4° |
| C5 | C4 | N1 | H8 | 6.5° | 0.0° |
| C4 | N1 | C3 | H8 | 180.0° | 180.0° |
| N1 | C4 | C5 | C6 | 12.3° | 180.0° |
| C4 | N1 | C3 | H10 | 41.7° | 60.1° |
| C4 | N1 | C3 | H11 | 160.7° | 60.0° |
| N1 | C3 | H10 | H11 | 118.5° | 120.1° |
| N1 | C3 | C2 | H12 | 77.8° | 60.0° |
| N1 | C3 | C2 | H13 | 40.6° | 60.0° |
| C9 | C8 | C11 | N3 | 15.4° | 179.7° |
| C9 | C8 | C11 | C7 | 177.1° | 179.9° |
| C9 | C8 | C7 | C6 | 1.4° | 0.1° |
| C9 | C8 | C11 | C12 | 163.4° | 0.1° |
| C9 | C8 | C7 | H4 | 178.6° | 179.9° |
| C8 | C9 | C10 | H6 | 179.6° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.1° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | H4 | 179.9° | 179.9° |
| C6 | C5 | C10 | H6 | 178.1° | 180.0° |
| C14 | N2 | S2 | H9 | 121.2° | 180.0° |
| C14 | N2 | S2 | C15 | 119.4° | 65.0° |
| N2 | C14 | C13 | N3 | 71.2° | 89.6° |
| N2 | C14 | C13 | H1 | 119.6° | 120.0° |
| N2 | C14 | C13 | H2 | 119.6° | 120.0° |
| C14 | N2 | S2 | O2 | 118.7° | 178.5° |
| C14 | N2 | S2 | O3 | 9.2° | 48.6° |
| N2 | C14 | C13 | S1 | 108.5° | 90.0° |
| N2 | C14 | H1 | H2 | 121.2° | 120.0° |
| N2 | S2 | C15 | C20 | 131.7° | 90.0° |
| N2 | S2 | C15 | O2 | 117.3° | 113.5° |
| N2 | S2 | C15 | O3 | 120.1° | 113.5° |
| S2 | N2 | C14 | C13 | 90.4° | 165.0° |
| N2 | S2 | O2 | O3 | 131.3° | 122.9° |
| S2 | N2 | C14 | H1 | 29.2° | 45.0° |
| S2 | N2 | C14 | H2 | 150.0° | 74.9° |
| C19 | C20 | C15 | H18 | 180.0° | 179.7° |
| C19 | C20 | C15 | S2 | 177.7° | 179.7° |
| C20 | C19 | C18 | H16 | 178.9° | 179.9° |
| C20 | C15 | S2 | O2 | 110.9° | 23.5° |
| C20 | C15 | S2 | O3 | 11.6° | 156.5° |
| C20 | C15 | C16 | H14 | 177.5° | 180.0° |
| C15 | C20 | C19 | H17 | 178.9° | 180.0° |
| C15 | S2 | O2 | O3 | 119.3° | 123.0° |
| C15 | S2 | N2 | H9 | 119.4° | 115.0° |
| S2 | C15 | C16 | H14 | 1.8° | 0.3° |
| S2 | C15 | C20 | H18 | 2.3° | 0.0° |
| N3 | C13 | C14 | S1 | 179.7° | 179.6° |
| C13 | N3 | C11 | C8 | 174.4° | 179.7° |
| C13 | N3 | C11 | C12 | 4.6° | 0.1° |
| N3 | C13 | S1 | C12 | 1.0° | 0.4° |
| N3 | C13 | C14 | H1 | 169.2° | 150.4° |
| N3 | C13 | C14 | H2 | 48.4° | 30.5° |
| C11 | N3 | C13 | C14 | 177.0° | 180.0° |
| N3 | C11 | C8 | C12 | 178.8° | 179.8° |
| N3 | C11 | C8 | C7 | 167.5° | 0.2° |
| C11 | N3 | C13 | S1 | 3.3° | 0.3° |
| N3 | C11 | C12 | S1 | 3.7° | 0.2° |
| N3 | C11 | C12 | H7 | 176.3° | 179.8° |
| C14 | C13 | S1 | C12 | 179.3° | 180.0° |
| C13 | C14 | H1 | H2 | 121.2° | 120.0° |
| C13 | C14 | N2 | H9 | 30.9° | 15.0° |
| C11 | C8 | C7 | C6 | 178.5° | 180.0° |
| C8 | C11 | C12 | S1 | 175.2° | 180.0° |
| C11 | C8 | C7 | H4 | 1.5° | 0.0° |
| C11 | C8 | C9 | H5 | 1.6° | 0.0° |
| C8 | C11 | C12 | H7 | 4.8° | 0.1° |
| C8 | C7 | C6 | H4 | 180.0° | 180.0° |
| C7 | C8 | C11 | C12 | 13.7° | 180.0° |
| C8 | C7 | C6 | H3 | 179.9° | 180.0° |
| C7 | C8 | C9 | H5 | 178.7° | 179.9° |
| O2 | S2 | N2 | H9 | 2.5° | 1.4° |
| O3 | S2 | N2 | H9 | 130.5° | 131.4° |
| C13 | S1 | C12 | C11 | 1.5° | 0.3° |
| S1 | C13 | C14 | H1 | 11.1° | 30.0° |
| S1 | C13 | C14 | H2 | 131.9° | 150.0° |
| C13 | S1 | C12 | H7 | 178.5° | 179.6° |
| C11 | C12 | S1 | H7 | 180.0° | 180.0° |
| H1 | C14 | N2 | H9 | 150.4° | 135.0° |
| H2 | C14 | N2 | H9 | 88.7° | 105.0° |
| H3 | C6 | C7 | H4 | 0.1° | 0.0° |
| H5 | C9 | C10 | H6 | 0.4° | 0.3° |
| H8 | N1 | C3 | H10 | 138.3° | 120.0° |
| H8 | N1 | C3 | H11 | 19.3° | 119.9° |
| H10 | C3 | C2 | H12 | 161.6° | 180.0° |
| H10 | C3 | C2 | H13 | 79.9° | 60.0° |
| H11 | C3 | C2 | H12 | 42.7° | 60.0° |
| H11 | C3 | C2 | H13 | 161.1° | 180.0° |
| H14 | C16 | C17 | H15 | 2.4° | 0.0° |
| H15 | C17 | C18 | H16 | 1.8° | 0.0° |
| H16 | C18 | C19 | H17 | 1.1° | 0.1° |
| H17 | C19 | C20 | H18 | 1.1° | 0.3° |
