GJ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C1 | sing | 1.40Å | 1.32Å | |
| O1 | S1 | doub | 1.42Å | 1.49Å | |
| F1 | C1 | sing | 1.40Å | 1.32Å | |
| F3 | C1 | sing | 1.40Å | 1.31Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| S1 | N1 | sing | 1.66Å | 1.74Å | |
| S1 | O2 | doub | 1.42Å | 1.47Å | |
| S1 | C4 | sing | 1.76Å | 1.77Å | |
| O3 | S2 | doub | 1.42Å | 1.48Å | |
| C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C3 | sing | 1.46Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| O4 | S2 | doub | 1.42Å | 1.47Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| S2 | C13 | sing | 1.76Å | 1.80Å | |
| S2 | N2 | sing | 1.66Å | 1.73Å | |
| C7 | C10 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | trip | 1.17Å | 1.19Å | |
| C11 | C12 | sing | 1.47Å | 1.46Å | |
| N2 | C12 | sing | 1.47Å | 1.48Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C1 | F1 | 114.9° | 109.5° |
| F2 | C1 | F3 | 104.4° | 109.4° |
| F2 | C1 | C2 | 108.7° | 109.5° |
| O1 | S1 | N1 | 106.4° | 106.4° |
| O1 | S1 | O2 | 111.2° | 123.2° |
| O1 | S1 | C4 | 108.2° | 106.4° |
| F1 | C1 | F3 | 108.0° | 109.4° |
| F1 | C1 | C2 | 110.5° | 109.5° |
| F3 | C1 | C2 | 110.2° | 109.4° |
| C1 | C2 | C3 | 110.9° | 109.4° |
| C1 | C2 | H12 | 109.1° | 109.5° |
| C1 | C2 | H13 | 109.1° | 109.5° |
| C6 | C5 | C4 | 118.3° | 120.2° |
| C5 | C6 | C7 | 122.0° | 119.9° |
| C6 | C5 | H2 | 120.8° | 119.9° |
| C5 | C6 | H3 | 119.0° | 120.1° |
| C5 | C4 | S1 | 119.9° | 119.9° |
| C5 | C4 | C9 | 120.5° | 120.3° |
| C4 | C5 | H2 | 120.8° | 119.9° |
| N1 | S1 | O2 | 116.9° | 106.4° |
| N1 | S1 | C4 | 104.7° | 107.2° |
| S1 | N1 | C3 | 114.8° | 120.0° |
| S1 | N1 | H8 | 108.1° | 119.9° |
| O2 | S1 | C4 | 108.9° | 106.4° |
| S1 | C4 | C9 | 119.6° | 119.8° |
| O3 | S2 | O4 | 109.3° | 123.1° |
| O3 | S2 | C13 | 111.7° | 106.4° |
| O3 | S2 | N2 | 107.8° | 106.4° |
| C6 | C7 | C10 | 118.9° | 120.2° |
| C6 | C7 | C8 | 119.7° | 119.7° |
| C7 | C6 | H3 | 119.0° | 120.0° |
| N1 | C3 | C2 | 106.0° | 109.5° |
| C3 | N1 | H8 | 108.1° | 120.0° |
| N1 | C3 | H10 | 110.3° | 109.5° |
| N1 | C3 | H11 | 110.4° | 109.5° |
| C2 | C3 | H10 | 110.4° | 109.5° |
| C2 | C3 | H11 | 110.3° | 109.4° |
| C3 | C2 | H12 | 109.1° | 109.5° |
| C3 | C2 | H13 | 109.1° | 109.4° |
| C4 | C9 | C8 | 120.8° | 120.1° |
| C4 | C9 | H5 | 119.6° | 120.0° |
| O4 | S2 | C13 | 110.4° | 106.4° |
| O4 | S2 | N2 | 110.1° | 106.4° |
| C15 | C14 | C13 | 121.0° | 120.0° |
| C14 | C15 | C16 | 120.5° | 120.0° |
| C15 | C14 | H1 | 119.5° | 120.0° |
| C14 | C15 | H14 | 119.8° | 119.9° |
| C14 | C13 | S2 | 121.6° | 120.0° |
| C14 | C13 | C18 | 117.7° | 120.0° |
| C13 | C14 | H1 | 119.5° | 120.0° |
| C13 | S2 | N2 | 107.5° | 107.2° |
| S2 | C13 | C18 | 120.7° | 120.0° |
| S2 | N2 | C12 | 108.3° | 120.0° |
| S2 | N2 | H9 | 109.8° | 120.0° |
| C10 | C7 | C8 | 121.4° | 120.1° |
| C7 | C10 | C11 | 172.1° | 179.9° |
| C7 | C8 | C9 | 118.7° | 119.8° |
| C7 | C8 | H4 | 120.7° | 120.1° |
| C15 | C16 | C17 | 119.2° | 120.0° |
| C16 | C15 | H14 | 119.7° | 120.0° |
| C15 | C16 | H15 | 120.4° | 119.9° |
| C13 | C18 | C17 | 121.3° | 120.0° |
| C13 | C18 | H17 | 119.3° | 120.0° |
| C9 | C8 | H4 | 120.6° | 120.1° |
| C8 | C9 | H5 | 119.6° | 119.9° |
| C10 | C11 | C12 | 174.5° | 180.0° |
| C11 | C12 | N2 | 114.1° | 109.5° |
| C11 | C12 | H6 | 108.3° | 109.5° |
| C11 | C12 | H7 | 108.3° | 109.5° |
| N2 | C12 | H6 | 108.3° | 109.4° |
| N2 | C12 | H7 | 108.3° | 109.5° |
| C12 | N2 | H9 | 109.8° | 120.0° |
| C16 | C17 | C18 | 120.4° | 120.0° |
| C17 | C16 | H15 | 120.4° | 120.0° |
| C16 | C17 | H16 | 119.8° | 120.0° |
| C18 | C17 | H16 | 119.8° | 120.0° |
| C17 | C18 | H17 | 119.4° | 120.0° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H10 | C3 | H11 | 109.4° | 109.5° |
| H12 | C2 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C1 | F1 | F3 | 116.0° | 120.0° |
| F2 | C1 | F1 | C2 | 123.3° | 120.1° |
| F2 | C1 | F3 | C2 | 116.5° | 120.0° |
| F2 | C1 | C2 | C3 | 87.0° | 60.0° |
| F2 | C1 | C2 | H12 | 152.8° | 180.0° |
| F2 | C1 | C2 | H13 | 33.2° | 59.9° |
| O1 | S1 | C4 | C5 | 7.9° | 23.9° |
| O1 | S1 | N1 | O2 | 124.9° | 132.9° |
| O1 | S1 | N1 | C4 | 114.5° | 113.5° |
| O1 | S1 | O2 | C4 | 119.2° | 122.9° |
| O1 | S1 | N1 | C3 | 115.0° | 48.6° |
| O1 | S1 | C4 | C9 | 171.7° | 156.5° |
| O1 | S1 | N1 | H8 | 5.8° | 131.5° |
| F1 | C1 | F3 | C2 | 120.8° | 120.0° |
| F1 | C1 | C2 | C3 | 146.1° | 60.0° |
| F1 | C1 | C2 | H12 | 25.9° | 59.9° |
| F1 | C1 | C2 | H13 | 93.6° | 180.0° |
| F3 | C1 | C2 | C3 | 26.8° | 180.0° |
| F3 | C1 | C2 | H12 | 93.4° | 60.0° |
| F3 | C1 | C2 | H13 | 147.1° | 60.1° |
| C1 | C2 | C3 | N1 | 76.0° | 180.0° |
| C1 | C2 | C3 | H12 | 120.2° | 120.0° |
| C1 | C2 | C3 | H13 | 120.2° | 120.0° |
| C1 | C2 | C3 | H10 | 164.6° | 60.0° |
| C1 | C2 | C3 | H11 | 43.5° | 60.0° |
| C1 | C2 | H12 | H13 | 119.4° | 120.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | S1 | 179.5° | 179.7° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | C9 | 0.9° | 0.1° |
| C5 | C6 | C7 | C10 | 177.8° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C5 | C4 | S1 | N1 | 121.1° | 89.6° |
| C5 | C4 | S1 | O2 | 113.1° | 156.8° |
| C5 | C4 | S1 | C9 | 179.6° | 179.6° |
| C4 | C5 | C6 | C7 | 0.3° | 0.1° |
| C5 | C4 | C9 | C8 | 2.2° | 0.1° |
| C4 | C5 | C6 | H3 | 179.7° | 179.9° |
| C5 | C4 | C9 | H5 | 177.8° | 180.0° |
| N1 | S1 | O2 | C4 | 118.4° | 114.1° |
| S1 | N1 | C3 | H8 | 120.8° | 180.0° |
| S1 | N1 | C3 | C2 | 135.8° | 165.0° |
| N1 | S1 | C4 | C9 | 58.5° | 90.0° |
| S1 | N1 | C3 | H10 | 104.8° | 75.0° |
| S1 | N1 | C3 | H11 | 16.3° | 45.1° |
| O2 | S1 | N1 | C3 | 9.9° | 178.5° |
| O2 | S1 | C4 | C9 | 67.3° | 23.6° |
| O2 | S1 | N1 | H8 | 130.7° | 1.5° |
| C4 | S1 | N1 | C3 | 130.5° | 64.9° |
| S1 | C4 | C9 | C8 | 178.2° | 179.7° |
| S1 | C4 | C5 | H2 | 0.6° | 0.3° |
| S1 | C4 | C9 | H5 | 1.8° | 0.3° |
| C4 | S1 | N1 | H8 | 108.7° | 115.0° |
| O3 | S2 | O4 | C13 | 123.2° | 122.9° |
| O3 | S2 | O4 | N2 | 118.2° | 123.0° |
| O3 | S2 | C13 | C14 | 0.6° | 156.5° |
| O3 | S2 | C13 | N2 | 118.0° | 113.6° |
| O3 | S2 | C13 | C18 | 178.8° | 23.6° |
| O3 | S2 | N2 | C12 | 48.6° | 48.6° |
| O3 | S2 | N2 | H9 | 71.3° | 131.5° |
| C6 | C7 | C10 | C8 | 177.9° | 180.0° |
| C6 | C7 | C8 | C9 | 1.1° | 0.0° |
| C6 | C7 | C10 | C11 | 85.9° | 89.3° |
| C7 | C6 | C5 | H2 | 179.7° | 180.0° |
| C6 | C7 | C8 | H4 | 179.0° | 180.0° |
| N1 | C3 | C2 | H10 | 119.4° | 120.0° |
| N1 | C3 | C2 | H11 | 119.5° | 120.0° |
| N1 | C3 | H10 | H11 | 121.6° | 120.0° |
| N1 | C3 | C2 | H12 | 163.8° | 60.0° |
| N1 | C3 | C2 | H13 | 44.2° | 60.0° |
| C2 | C3 | N1 | H8 | 15.0° | 15.0° |
| C2 | C3 | H10 | H11 | 121.6° | 120.0° |
| C3 | C2 | H12 | H13 | 119.4° | 120.0° |
| C4 | C9 | C8 | C7 | 2.3° | 0.0° |
| C4 | C9 | C8 | H5 | 180.0° | 180.0° |
| C9 | C4 | C5 | H2 | 179.1° | 180.0° |
| C4 | C9 | C8 | H4 | 177.8° | 179.9° |
| O4 | S2 | C13 | C14 | 122.4° | 23.6° |
| O4 | S2 | C13 | N2 | 120.1° | 113.5° |
| O4 | S2 | C13 | C18 | 59.4° | 156.5° |
| O4 | S2 | N2 | C12 | 167.7° | 178.5° |
| O4 | S2 | N2 | H9 | 47.9° | 1.4° |
| C15 | C14 | C13 | H1 | 180.0° | 179.7° |
| C15 | C14 | C13 | S2 | 180.0° | 179.9° |
| C14 | C15 | C16 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C18 | 1.8° | 0.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | H15 | 179.9° | 180.0° |
| C14 | C13 | S2 | C18 | 178.2° | 180.0° |
| C14 | C13 | S2 | N2 | 117.5° | 90.0° |
| C13 | C14 | C15 | C16 | 1.1° | 0.0° |
| C14 | C13 | C18 | C17 | 1.3° | 0.0° |
| C13 | C14 | C15 | H14 | 178.9° | 180.0° |
| C14 | C13 | C18 | H17 | 178.7° | 180.0° |
| C13 | S2 | N2 | C12 | 72.0° | 65.0° |
| S2 | C13 | C18 | C17 | 179.6° | 180.0° |
| S2 | C13 | C14 | H1 | 0.0° | 0.2° |
| C13 | S2 | N2 | H9 | 168.2° | 114.9° |
| S2 | C13 | C18 | H17 | 0.4° | 0.0° |
| N2 | S2 | C13 | C18 | 60.7° | 90.0° |
| S2 | N2 | C12 | C11 | 106.3° | 165.0° |
| S2 | N2 | C12 | H9 | 119.8° | 179.9° |
| S2 | N2 | C12 | H6 | 14.4° | 45.0° |
| S2 | N2 | C12 | H7 | 133.0° | 75.0° |
| C10 | C7 | C8 | C9 | 179.0° | 180.0° |
| C7 | C10 | C11 | C12 | 19.3° | 123.0° |
| C10 | C7 | C6 | H3 | 2.2° | 0.0° |
| C10 | C7 | C8 | H4 | 1.0° | 0.0° |
| C7 | C8 | C9 | H4 | 180.0° | 179.9° |
| C8 | C7 | C10 | C11 | 92.1° | 90.8° |
| C8 | C7 | C6 | H3 | 179.8° | 180.0° |
| C7 | C8 | C9 | H5 | 177.7° | 180.0° |
| C15 | C16 | C17 | H15 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.5° | 0.0° |
| C16 | C15 | C14 | H1 | 178.9° | 179.8° |
| C15 | C16 | C17 | H16 | 179.4° | 180.0° |
| C13 | C18 | C17 | C16 | 0.2° | 0.0° |
| C13 | C18 | C17 | H17 | 180.0° | 180.0° |
| C18 | C13 | C14 | H1 | 178.2° | 179.7° |
| C13 | C18 | C17 | H16 | 179.9° | 180.0° |
| C10 | C11 | C12 | N2 | 145.3° | 26.3° |
| C10 | C11 | C12 | H6 | 24.6° | 146.2° |
| C10 | C11 | C12 | H7 | 94.0° | 93.7° |
| C11 | C12 | N2 | H6 | 120.7° | 120.0° |
| C11 | C12 | N2 | H7 | 120.7° | 120.1° |
| C11 | C12 | H6 | H7 | 117.9° | 120.1° |
| C11 | C12 | N2 | H9 | 13.5° | 15.1° |
| N2 | C12 | H6 | H7 | 117.9° | 119.9° |
| C16 | C17 | C18 | H16 | 180.0° | 180.0° |
| C17 | C16 | C15 | H14 | 179.9° | 180.0° |
| C16 | C17 | C18 | H17 | 179.8° | 180.0° |
| C18 | C17 | C16 | H15 | 179.4° | 179.9° |
| H1 | C14 | C15 | H14 | 1.1° | 0.2° |
| H2 | C5 | C6 | H3 | 0.2° | 0.0° |
| H4 | C8 | C9 | H5 | 2.2° | 0.0° |
| H6 | C12 | N2 | H9 | 134.2° | 135.1° |
| H7 | C12 | N2 | H9 | 107.1° | 105.0° |
| H8 | N1 | C3 | H10 | 134.4° | 105.0° |
| H8 | N1 | C3 | H11 | 104.5° | 135.0° |
| H10 | C3 | C2 | H12 | 44.3° | 180.0° |
| H10 | C3 | C2 | H13 | 75.2° | 60.0° |
| H11 | C3 | C2 | H12 | 76.7° | 60.0° |
| H11 | C3 | C2 | H13 | 163.7° | 180.0° |
| H14 | C15 | C16 | H15 | 0.1° | 0.1° |
| H15 | C16 | C17 | H16 | 0.6° | 0.1° |
| H16 | C17 | C18 | H17 | 0.2° | 0.0° |
