GX6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C20 | sing | 1.40Å | 1.35Å | |
| F3 | C20 | sing | 1.40Å | 1.36Å | |
| C20 | C19 | sing | 1.54Å | 1.55Å | |
| C20 | C21 | sing | 1.54Å | 1.55Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| F1 | C1 | sing | 1.35Å | 1.34Å | |
| C21 | C18 | sing | 1.53Å | 1.56Å | |
| C17 | C16 | sing | 1.47Å | 1.47Å | |
| C18 | C22 | sing | 1.53Å | 1.55Å | |
| C18 | C14 | sing | 1.53Å | 1.57Å | |
| C16 | C15 | trip | 1.17Å | 1.38Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | O2 | sing | 1.43Å | 1.45Å | |
| C15 | C14 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.54Å | |
| C14 | N5 | sing | 1.46Å | 1.49Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| O2 | C23 | sing | 1.34Å | 1.27Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| N5 | C23 | doub | 1.29Å | 1.41Å | |
| C12 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | N4 | sing | 1.37Å | 1.32Å | |
| C4 | N1 | sing | 1.40Å | 1.42Å | |
| N1 | C5 | sing | 1.35Å | 1.35Å | |
| O1 | C5 | doub | 1.22Å | 1.22Å | |
| C5 | C6 | sing | 1.48Å | 1.50Å | |
| C6 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C7 | doub | 1.31Å | 1.34Å | Aromatic |
| C10 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.43Å | 1.44Å | |
| C9 | N3 | trip | 1.14Å | 1.15Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C20 | F3 | 110.7° | 112.8° |
| F2 | C20 | C19 | 114.3° | 113.6° |
| F2 | C20 | C21 | 113.4° | 113.6° |
| F3 | C20 | C19 | 113.9° | 113.6° |
| F3 | C20 | C21 | 114.4° | 113.6° |
| C19 | C20 | C21 | 88.7° | 87.2° |
| C20 | C19 | C18 | 89.9° | 86.9° |
| C20 | C19 | H11 | 114.1° | 113.6° |
| C20 | C19 | H12 | 114.1° | 113.7° |
| C20 | C21 | C18 | 90.0° | 86.9° |
| C20 | C21 | H13 | 114.1° | 113.6° |
| C20 | C21 | H14 | 114.1° | 113.7° |
| C19 | C18 | C21 | 88.1° | 87.7° |
| C19 | C18 | C22 | 113.3° | 113.8° |
| C19 | C18 | C14 | 120.3° | 113.9° |
| C18 | C19 | H11 | 114.1° | 113.6° |
| C18 | C19 | H12 | 114.1° | 113.7° |
| F1 | C1 | C2 | 118.4° | 119.9° |
| F1 | C1 | C13 | 119.3° | 120.0° |
| C21 | C18 | C22 | 111.0° | 113.8° |
| C21 | C18 | C14 | 113.9° | 114.0° |
| C18 | C21 | H13 | 114.1° | 113.6° |
| C18 | C21 | H14 | 114.1° | 113.6° |
| C17 | C16 | C15 | 174.4° | 179.9° |
| C16 | C17 | H8 | 109.5° | 109.4° |
| C16 | C17 | H9 | 109.4° | 109.5° |
| C16 | C17 | H10 | 109.5° | 109.5° |
| C22 | C18 | C14 | 108.7° | 111.7° |
| C18 | C22 | O2 | 111.6° | 107.7° |
| C18 | C22 | H15 | 108.9° | 109.8° |
| C18 | C22 | H16 | 108.9° | 109.8° |
| C18 | C14 | C15 | 111.6° | 109.5° |
| C18 | C14 | C13 | 112.7° | 109.5° |
| C18 | C14 | N5 | 106.5° | 109.3° |
| C16 | C15 | C14 | 177.2° | 179.9° |
| C2 | C1 | C13 | 122.3° | 120.1° |
| C1 | C2 | C3 | 118.8° | 120.0° |
| C1 | C2 | H1 | 120.6° | 120.0° |
| C1 | C13 | C14 | 122.0° | 120.0° |
| C1 | C13 | C12 | 117.7° | 120.0° |
| C22 | O2 | C23 | 119.5° | 117.7° |
| O2 | C22 | H15 | 108.9° | 109.8° |
| O2 | C22 | H16 | 109.0° | 109.8° |
| C15 | C14 | C13 | 109.9° | 109.5° |
| C15 | C14 | N5 | 104.3° | 109.5° |
| C2 | C3 | C4 | 120.1° | 120.0° |
| C3 | C2 | H1 | 120.6° | 120.0° |
| C2 | C3 | H2 | 120.0° | 120.0° |
| C13 | C14 | N5 | 111.4° | 109.5° |
| C14 | C13 | C12 | 120.3° | 120.0° |
| C14 | N5 | C23 | 119.2° | 123.3° |
| C13 | C12 | C4 | 121.0° | 120.0° |
| C13 | C12 | H7 | 119.5° | 120.1° |
| O2 | C23 | N5 | 126.4° | 124.9° |
| O2 | C23 | N4 | 114.1° | 117.6° |
| C3 | C4 | C12 | 120.2° | 119.9° |
| C3 | C4 | N1 | 124.3° | 120.1° |
| C4 | C3 | H2 | 120.0° | 120.0° |
| N5 | C23 | N4 | 119.5° | 117.6° |
| C12 | C4 | N1 | 115.5° | 120.1° |
| C4 | C12 | H7 | 119.5° | 120.0° |
| C23 | N4 | H17 | 120.0° | 119.9° |
| C23 | N4 | H18 | 120.0° | 120.0° |
| C4 | N1 | C5 | 128.0° | 120.0° |
| C4 | N1 | H3 | 116.0° | 120.0° |
| N1 | C5 | O1 | 125.2° | 120.0° |
| N1 | C5 | C6 | 113.6° | 120.0° |
| C5 | N1 | H3 | 116.0° | 120.0° |
| O1 | C5 | C6 | 121.2° | 120.0° |
| C5 | C6 | C11 | 120.0° | 119.6° |
| C5 | C6 | N2 | 118.0° | 119.5° |
| C11 | C6 | N2 | 122.0° | 120.9° |
| C6 | C11 | C10 | 118.8° | 119.2° |
| C6 | C11 | H6 | 120.6° | 120.3° |
| C6 | N2 | C7 | 119.2° | 121.8° |
| C11 | C10 | C8 | 119.8° | 118.3° |
| C11 | C10 | H5 | 120.1° | 120.8° |
| C10 | C11 | H6 | 120.6° | 120.4° |
| N2 | C7 | C8 | 122.2° | 120.7° |
| N2 | C7 | H4 | 118.9° | 119.6° |
| C10 | C8 | C7 | 117.9° | 119.1° |
| C10 | C8 | C9 | 120.3° | 120.5° |
| C8 | C10 | H5 | 120.1° | 120.8° |
| C7 | C8 | C9 | 121.7° | 120.4° |
| C8 | C7 | H4 | 118.9° | 119.7° |
| C8 | C9 | N3 | 178.6° | 179.9° |
| H8 | C17 | H9 | 109.5° | 109.4° |
| H8 | C17 | H10 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.4° | 109.5° |
| H11 | C19 | H12 | 109.4° | 112.9° |
| H13 | C21 | H14 | 109.5° | 112.9° |
| H15 | C22 | H16 | 109.5° | 109.9° |
| H17 | N4 | H18 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C20 | F3 | C19 | 130.4° | 131.2° |
| F2 | C20 | F3 | C21 | 129.5° | 131.1° |
| F2 | C20 | C19 | C21 | 115.1° | 114.6° |
| F2 | C20 | C19 | C18 | 128.8° | 139.6° |
| F2 | C20 | C21 | C18 | 129.7° | 139.6° |
| F2 | C20 | C19 | H11 | 12.2° | 105.9° |
| F2 | C20 | C19 | H12 | 114.7° | 25.0° |
| F2 | C20 | C21 | H13 | 113.8° | 25.1° |
| F2 | C20 | C21 | H14 | 13.1° | 105.9° |
| F3 | C20 | C19 | C21 | 116.3° | 114.6° |
| F3 | C20 | C19 | C18 | 102.6° | 89.6° |
| F3 | C20 | C21 | C18 | 102.1° | 89.6° |
| F3 | C20 | C19 | H11 | 140.8° | 24.9° |
| F3 | C20 | C19 | H12 | 13.9° | 155.9° |
| F3 | C20 | C21 | H13 | 14.4° | 155.9° |
| F3 | C20 | C21 | H14 | 141.3° | 24.9° |
| C20 | C19 | C18 | H11 | 116.6° | 114.5° |
| C20 | C19 | C18 | H12 | 116.6° | 114.6° |
| C19 | C20 | C21 | C18 | 13.6° | 25.0° |
| C20 | C19 | C18 | C22 | 98.6° | 89.9° |
| C20 | C19 | C18 | C14 | 130.3° | 140.4° |
| C20 | C19 | H11 | H12 | 129.3° | 131.4° |
| C19 | C20 | C21 | H13 | 130.2° | 89.5° |
| C19 | C20 | C21 | H14 | 103.0° | 139.5° |
| C20 | C21 | C18 | H13 | 116.6° | 114.5° |
| C20 | C21 | C18 | H14 | 116.6° | 114.6° |
| C20 | C21 | C18 | C22 | 100.8° | 89.9° |
| C20 | C21 | C18 | C14 | 136.1° | 140.3° |
| C21 | C20 | C19 | H11 | 102.9° | 139.5° |
| C21 | C20 | C19 | H12 | 130.2° | 89.5° |
| C20 | C21 | H13 | H14 | 129.2° | 131.4° |
| C19 | C18 | C21 | C22 | 114.3° | 115.0° |
| C19 | C18 | C21 | C14 | 122.6° | 115.2° |
| C19 | C18 | C22 | C14 | 136.6° | 130.8° |
| C19 | C18 | C22 | O2 | 167.7° | 73.6° |
| C19 | C18 | C14 | C15 | 58.3° | 152.3° |
| C19 | C18 | C14 | C13 | 66.0° | 32.3° |
| C19 | C18 | C14 | N5 | 171.5° | 87.7° |
| C18 | C19 | H11 | H12 | 129.3° | 131.3° |
| C19 | C18 | C21 | H13 | 130.1° | 89.4° |
| C19 | C18 | C21 | H14 | 103.0° | 139.7° |
| C19 | C18 | C22 | H15 | 72.0° | 166.8° |
| C19 | C18 | C22 | H16 | 47.3° | 45.9° |
| F1 | C1 | C2 | C13 | 179.2° | 179.7° |
| F1 | C1 | C2 | C3 | 180.0° | 179.7° |
| F1 | C1 | C13 | C14 | 1.1° | 0.3° |
| F1 | C1 | C13 | C12 | 180.0° | 179.7° |
| F1 | C1 | C2 | H1 | 0.1° | 0.3° |
| C21 | C18 | C22 | C14 | 126.0° | 130.8° |
| C21 | C18 | C22 | O2 | 70.3° | 172.0° |
| C21 | C18 | C14 | C15 | 44.3° | 53.8° |
| C21 | C18 | C14 | C13 | 168.7° | 66.3° |
| C21 | C18 | C14 | N5 | 68.9° | 173.7° |
| C21 | C18 | C19 | H11 | 103.0° | 139.6° |
| C21 | C18 | C19 | H12 | 130.1° | 89.5° |
| C18 | C21 | H13 | H14 | 129.2° | 131.3° |
| C21 | C18 | C22 | H15 | 169.4° | 68.4° |
| C21 | C18 | C22 | H16 | 50.0° | 52.5° |
| C17 | C16 | C15 | C14 | 47.3° | 162.8° |
| C16 | C17 | H8 | H9 | 120.0° | 120.0° |
| C16 | C17 | H8 | H10 | 120.0° | 120.0° |
| C16 | C17 | H9 | H10 | 120.0° | 120.1° |
| C18 | C22 | O2 | H15 | 120.3° | 119.5° |
| C18 | C22 | O2 | H16 | 120.3° | 119.6° |
| C22 | C18 | C14 | C15 | 168.7° | 77.0° |
| C22 | C18 | C14 | C13 | 67.0° | 163.0° |
| C22 | C18 | C14 | N5 | 55.5° | 43.0° |
| C18 | C22 | O2 | C23 | 27.2° | 43.5° |
| C22 | C18 | C19 | H11 | 144.9° | 24.5° |
| C22 | C18 | C19 | H12 | 18.0° | 155.5° |
| C22 | C18 | C21 | H13 | 15.8° | 155.6° |
| C22 | C18 | C21 | H14 | 142.7° | 24.6° |
| C18 | C22 | H15 | H16 | 119.0° | 120.8° |
| C18 | C14 | C15 | C16 | 93.9° | 59.5° |
| C18 | C14 | C13 | C1 | 79.5° | 81.2° |
| C14 | C18 | C22 | O2 | 55.7° | 57.1° |
| C18 | C14 | C15 | C13 | 125.9° | 120.1° |
| C18 | C14 | C15 | N5 | 114.6° | 119.8° |
| C18 | C14 | C13 | N5 | 119.7° | 119.8° |
| C18 | C14 | C13 | C12 | 101.7° | 98.9° |
| C18 | C14 | N5 | C23 | 30.8° | 15.2° |
| C14 | C18 | C19 | H11 | 13.8° | 105.1° |
| C14 | C18 | C19 | H12 | 113.1° | 25.8° |
| C14 | C18 | C21 | H13 | 107.3° | 25.9° |
| C14 | C18 | C21 | H14 | 19.6° | 105.1° |
| C14 | C18 | C22 | H15 | 64.6° | 62.4° |
| C14 | C18 | C22 | H16 | 176.1° | 176.7° |
| C16 | C15 | C14 | C13 | 32.0° | 179.6° |
| C16 | C15 | C14 | N5 | 151.5° | 60.3° |
| C15 | C16 | C17 | H8 | 180.0° | 162.5° |
| C15 | C16 | C17 | H9 | 60.0° | 77.6° |
| C15 | C16 | C17 | H10 | 60.0° | 42.5° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C2 | C1 | C13 | C14 | 179.7° | 180.0° |
| C2 | C1 | C13 | C12 | 0.9° | 0.1° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C1 | C2 | C3 | H2 | 179.2° | 179.9° |
| C1 | C13 | C14 | C15 | 45.8° | 158.7° |
| C13 | C1 | C2 | C3 | 0.8° | 0.0° |
| C1 | C13 | C14 | C12 | 178.9° | 179.9° |
| C1 | C13 | C14 | N5 | 160.9° | 38.6° |
| C1 | C13 | C12 | C4 | 1.0° | 0.1° |
| C13 | C1 | C2 | H1 | 179.2° | 180.0° |
| C1 | C13 | C12 | H7 | 179.1° | 179.9° |
| C22 | O2 | C23 | N5 | 0.7° | 16.6° |
| C22 | O2 | C23 | N4 | 178.4° | 163.4° |
| O2 | C22 | H15 | H16 | 119.0° | 120.9° |
| C15 | C14 | C13 | N5 | 115.1° | 120.1° |
| C15 | C14 | C13 | C12 | 133.1° | 21.2° |
| C15 | C14 | N5 | C23 | 149.0° | 104.7° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C12 | 0.9° | 0.1° |
| C2 | C3 | C4 | N1 | 179.9° | 180.0° |
| C13 | C14 | N5 | C23 | 92.5° | 135.2° |
| C14 | C13 | C12 | C4 | 179.9° | 180.0° |
| C14 | C13 | C12 | H7 | 0.2° | 0.1° |
| N5 | C14 | C13 | C12 | 18.0° | 141.3° |
| C14 | N5 | C23 | O2 | 2.0° | 0.9° |
| C14 | N5 | C23 | N4 | 178.9° | 179.1° |
| C13 | C12 | C4 | C3 | 1.0° | 0.1° |
| C13 | C12 | C4 | H7 | 180.0° | 179.9° |
| C13 | C12 | C4 | N1 | 179.9° | 180.0° |
| O2 | C23 | N5 | N4 | 179.1° | 180.0° |
| C23 | O2 | C22 | H15 | 93.1° | 76.1° |
| C23 | O2 | C22 | H16 | 147.6° | 163.0° |
| O2 | C23 | N4 | H17 | 0.0° | 0.0° |
| O2 | C23 | N4 | H18 | 180.0° | 179.9° |
| C3 | C4 | C12 | N1 | 179.1° | 180.0° |
| C3 | C4 | N1 | C5 | 3.5° | 35.2° |
| C4 | C3 | C2 | H1 | 179.2° | 180.0° |
| C3 | C4 | N1 | H3 | 176.6° | 144.8° |
| C3 | C4 | C12 | H7 | 179.0° | 179.9° |
| N5 | C23 | N4 | H17 | 179.2° | 180.0° |
| N5 | C23 | N4 | H18 | 0.8° | 0.0° |
| C12 | C4 | N1 | C5 | 177.5° | 144.8° |
| C12 | C4 | C3 | H2 | 179.1° | 180.0° |
| C12 | C4 | N1 | H3 | 2.5° | 35.2° |
| C23 | N4 | H17 | H18 | 180.0° | 180.0° |
| C4 | N1 | C5 | H3 | 180.0° | 180.0° |
| C4 | N1 | C5 | O1 | 2.0° | 4.6° |
| C4 | N1 | C5 | C6 | 178.9° | 175.4° |
| N1 | C4 | C3 | H2 | 0.1° | 0.1° |
| N1 | C4 | C12 | H7 | 0.1° | 0.1° |
| N1 | C5 | O1 | C6 | 179.0° | 180.0° |
| N1 | C5 | C6 | C11 | 155.1° | 180.0° |
| N1 | C5 | C6 | N2 | 25.5° | 0.3° |
| O1 | C5 | C6 | C11 | 25.8° | 0.0° |
| O1 | C5 | C6 | N2 | 153.7° | 179.7° |
| O1 | C5 | N1 | H3 | 178.0° | 175.4° |
| C5 | C6 | C11 | N2 | 179.4° | 179.7° |
| C5 | C6 | C11 | C10 | 179.5° | 179.8° |
| C5 | C6 | N2 | C7 | 179.6° | 180.0° |
| C6 | C5 | N1 | H3 | 1.1° | 4.6° |
| C5 | C6 | C11 | H6 | 0.5° | 0.0° |
| C6 | C11 | C10 | H6 | 180.0° | 179.8° |
| C11 | C6 | N2 | C7 | 0.2° | 0.3° |
| C6 | C11 | C10 | C8 | 1.1° | 0.5° |
| C6 | C11 | C10 | H5 | 178.9° | 179.7° |
| N2 | C6 | C11 | C10 | 0.1° | 0.5° |
| C6 | N2 | C7 | C8 | 1.0° | 0.0° |
| C6 | N2 | C7 | H4 | 179.0° | 180.0° |
| N2 | C6 | C11 | H6 | 179.9° | 179.7° |
| C11 | C10 | C8 | H5 | 180.0° | 179.8° |
| C11 | C10 | C8 | C7 | 2.2° | 0.3° |
| C11 | C10 | C8 | C9 | 177.6° | 179.7° |
| N2 | C7 | C8 | C10 | 2.1° | 0.0° |
| N2 | C7 | C8 | H4 | 180.0° | 180.0° |
| N2 | C7 | C8 | C9 | 177.5° | 180.0° |
| C10 | C8 | C7 | C9 | 175.3° | 180.0° |
| C10 | C8 | C9 | N3 | 147.5° | 140.4° |
| C10 | C8 | C7 | H4 | 177.9° | 180.0° |
| C8 | C10 | C11 | H6 | 178.9° | 179.7° |
| C7 | C8 | C9 | N3 | 27.7° | 39.6° |
| C7 | C8 | C10 | H5 | 177.8° | 180.0° |
| C9 | C8 | C7 | H4 | 2.5° | 0.0° |
| C9 | C8 | C10 | H5 | 2.4° | 0.0° |
| H1 | C2 | C3 | H2 | 0.7° | 0.1° |
| H5 | C10 | C11 | H6 | 1.1° | 0.1° |
| H8 | C17 | H9 | H10 | 120.0° | 120.0° |
