GX4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| F | C | sing | 1.35Å | 1.34Å | |
| C | C5 | doub | 1.39Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | N | sing | 1.47Å | 1.47Å | |
| C3 | N | sing | 1.40Å | 1.47Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.47Å | 1.51Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C9 | sing | 1.47Å | 1.52Å | |
| O | C10 | doub | 1.21Å | 1.22Å | |
| N1 | C10 | sing | 1.35Å | 1.44Å | |
| N1 | C8 | sing | 1.47Å | 1.50Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C | 119.1° | 120.1° |
| C1 | C2 | C3 | 121.1° | 120.0° |
| C1 | C2 | H16 | 119.5° | 120.1° |
| C2 | C1 | H17 | 120.4° | 120.0° |
| C1 | C | F | 124.1° | 120.0° |
| C1 | C | C5 | 119.5° | 120.1° |
| C | C1 | H17 | 120.4° | 119.9° |
| C2 | C3 | N | 127.6° | 120.1° |
| C2 | C3 | C4 | 117.4° | 119.9° |
| C3 | C2 | H16 | 119.5° | 120.0° |
| F | C | C5 | 116.3° | 119.9° |
| C | C5 | C4 | 121.4° | 120.0° |
| C | C5 | H2 | 119.3° | 120.0° |
| C7 | C6 | N | 114.6° | 109.4° |
| C6 | C7 | N1 | 113.3° | 108.5° |
| C7 | C6 | H3 | 108.2° | 109.5° |
| C7 | C6 | H4 | 108.2° | 109.5° |
| C6 | C7 | H5 | 108.5° | 109.7° |
| C6 | C7 | H6 | 108.5° | 109.6° |
| C6 | N | C3 | 118.2° | 111.0° |
| C6 | N | C9 | 114.6° | 111.1° |
| N | C6 | H3 | 108.2° | 109.3° |
| N | C6 | H4 | 108.2° | 109.5° |
| N | C3 | C4 | 114.8° | 120.1° |
| C3 | N | C9 | 115.1° | 110.9° |
| C3 | C4 | C5 | 121.3° | 120.0° |
| C3 | C4 | H1 | 119.4° | 120.0° |
| C7 | N1 | C10 | 120.1° | 120.9° |
| C7 | N1 | C8 | 115.8° | 118.2° |
| N1 | C7 | H5 | 108.5° | 109.6° |
| N1 | C7 | H6 | 108.5° | 109.6° |
| C5 | C4 | H1 | 119.4° | 120.1° |
| C4 | C5 | H2 | 119.3° | 120.0° |
| N | C9 | C8 | 115.4° | 109.3° |
| N | C9 | H14 | 108.0° | 109.5° |
| N | C9 | H15 | 108.0° | 109.5° |
| O | C10 | N1 | 120.6° | 120.0° |
| O | C10 | C11 | 119.7° | 119.9° |
| C10 | N1 | C8 | 118.4° | 120.9° |
| N1 | C10 | C11 | 119.7° | 120.0° |
| N1 | C8 | C9 | 113.9° | 108.5° |
| N1 | C8 | H7 | 108.3° | 109.7° |
| N1 | C8 | H8 | 108.4° | 109.6° |
| C9 | C8 | H7 | 108.4° | 109.6° |
| C9 | C8 | H8 | 108.4° | 109.8° |
| C8 | C9 | H14 | 108.0° | 109.5° |
| C8 | C9 | H15 | 108.0° | 109.5° |
| C10 | C11 | C13 | 117.3° | 117.5° |
| C10 | C11 | C12 | 120.1° | 117.5° |
| C10 | C11 | H11 | 116.2° | 115.6° |
| C13 | C11 | C12 | 59.3° | 60.0° |
| C11 | C13 | C12 | 59.9° | 60.0° |
| C11 | C13 | H9 | 120.0° | 117.5° |
| C11 | C13 | H10 | 120.0° | 117.5° |
| C13 | C11 | H11 | 115.8° | 117.5° |
| C11 | C12 | C13 | 60.9° | 60.0° |
| C12 | C11 | H11 | 116.1° | 117.5° |
| C11 | C12 | H12 | 119.9° | 117.5° |
| C11 | C12 | H13 | 119.9° | 117.5° |
| C12 | C13 | H9 | 120.0° | 117.5° |
| C12 | C13 | H10 | 120.0° | 117.5° |
| C13 | C12 | H12 | 119.8° | 117.5° |
| C13 | C12 | H13 | 119.9° | 117.5° |
| H3 | C6 | H4 | 109.4° | 109.6° |
| H5 | C7 | H6 | 109.5° | 109.8° |
| H7 | C8 | H8 | 109.4° | 109.7° |
| H9 | C13 | H10 | 109.5° | 115.5° |
| H12 | C12 | H13 | 109.5° | 115.6° |
| H14 | C9 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C | H17 | 180.0° | 179.6° |
| C1 | C2 | C3 | H16 | 180.0° | 180.0° |
| C2 | C1 | C | F | 175.0° | 180.0° |
| C2 | C1 | C | C5 | 1.1° | 0.3° |
| C1 | C2 | C3 | N | 167.9° | 179.9° |
| C1 | C2 | C3 | C4 | 5.6° | 0.0° |
| C | C1 | C2 | C3 | 3.9° | 0.3° |
| C1 | C | F | C5 | 176.2° | 179.7° |
| C1 | C | C5 | C4 | 4.3° | 0.1° |
| C1 | C | C5 | H2 | 175.7° | 179.9° |
| C | C1 | C2 | H16 | 176.1° | 179.7° |
| C2 | C3 | N | C6 | 18.2° | 0.0° |
| C2 | C3 | N | C4 | 173.6° | 180.0° |
| C2 | C3 | C4 | C5 | 2.4° | 0.3° |
| C2 | C3 | N | C9 | 122.5° | 124.0° |
| C2 | C3 | C4 | H1 | 177.7° | 179.9° |
| C3 | C2 | C1 | H17 | 176.1° | 180.0° |
| F | C | C5 | C4 | 172.1° | 179.7° |
| F | C | C5 | H2 | 7.9° | 0.2° |
| F | C | C1 | H17 | 5.0° | 0.3° |
| C | C5 | C4 | C3 | 2.6° | 0.4° |
| C | C5 | C4 | H2 | 180.0° | 179.9° |
| C | C5 | C4 | H1 | 177.4° | 180.0° |
| C5 | C | C1 | H17 | 178.9° | 179.9° |
| C7 | C6 | N | H3 | 120.8° | 119.9° |
| C7 | C6 | N | H4 | 120.8° | 120.0° |
| C7 | C6 | N | C3 | 176.7° | 172.7° |
| C6 | C7 | N1 | H5 | 120.6° | 119.7° |
| C6 | C7 | N1 | H6 | 120.6° | 119.7° |
| C7 | C6 | N | C9 | 35.8° | 63.4° |
| C6 | C7 | N1 | C10 | 134.6° | 128.8° |
| C6 | C7 | N1 | C8 | 18.4° | 51.0° |
| C7 | C6 | H3 | H4 | 117.6° | 120.1° |
| C6 | C7 | H5 | H6 | 118.2° | 120.5° |
| C6 | N | C3 | C9 | 140.6° | 124.0° |
| C6 | N | C3 | C4 | 168.3° | 180.0° |
| N | C6 | C7 | N1 | 53.6° | 54.0° |
| C6 | N | C9 | C8 | 13.8° | 63.4° |
| N | C6 | H3 | H4 | 117.7° | 120.1° |
| N | C6 | C7 | H5 | 174.2° | 65.7° |
| N | C6 | C7 | H6 | 67.0° | 173.6° |
| C6 | N | C9 | H14 | 107.0° | 56.6° |
| C6 | N | C9 | H15 | 134.7° | 176.7° |
| N | C3 | C4 | C5 | 171.9° | 179.7° |
| C3 | N | C9 | C8 | 128.3° | 172.7° |
| N | C3 | C4 | H1 | 8.1° | 0.1° |
| C3 | N | C6 | H3 | 62.6° | 52.8° |
| C3 | N | C6 | H4 | 55.9° | 67.2° |
| C3 | N | C9 | H14 | 110.9° | 67.3° |
| C3 | N | C9 | H15 | 7.4° | 52.8° |
| N | C3 | C2 | H16 | 12.2° | 0.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.6° |
| C4 | C3 | N | C9 | 51.1° | 56.0° |
| C3 | C4 | C5 | H2 | 177.4° | 179.8° |
| C4 | C3 | C2 | H16 | 174.4° | 180.0° |
| C7 | N1 | C10 | O | 10.7° | 179.7° |
| C7 | N1 | C10 | C8 | 152.2° | 179.7° |
| C7 | N1 | C8 | C9 | 30.0° | 50.9° |
| C7 | N1 | C10 | C11 | 170.6° | 0.3° |
| N1 | C7 | C6 | H3 | 174.4° | 173.7° |
| N1 | C7 | C6 | H4 | 67.2° | 66.1° |
| N1 | C7 | H5 | H6 | 118.3° | 120.4° |
| C7 | N1 | C8 | H7 | 90.7° | 170.6° |
| C7 | N1 | C8 | H8 | 150.6° | 68.9° |
| N | C9 | C8 | N1 | 48.0° | 53.8° |
| N | C9 | C8 | H14 | 120.9° | 120.0° |
| N | C9 | C8 | H15 | 120.9° | 119.9° |
| C9 | N | C6 | H3 | 156.6° | 176.7° |
| C9 | N | C6 | H4 | 84.9° | 56.6° |
| N | C9 | C8 | H7 | 72.7° | 173.6° |
| N | C9 | C8 | H8 | 168.7° | 65.9° |
| N | C9 | H14 | H15 | 117.3° | 120.1° |
| O | C10 | N1 | C11 | 178.7° | 180.0° |
| O | C10 | N1 | C8 | 141.6° | 0.0° |
| O | C10 | C11 | C13 | 20.5° | 0.0° |
| O | C10 | C11 | C12 | 89.1° | 68.6° |
| O | C10 | C11 | H11 | 122.6° | 145.7° |
| C10 | N1 | C8 | C9 | 176.7° | 128.8° |
| N1 | C10 | C11 | C13 | 160.8° | 180.0° |
| N1 | C10 | C11 | C12 | 92.2° | 111.4° |
| C10 | N1 | C7 | H5 | 14.0° | 111.5° |
| C10 | N1 | C7 | H6 | 104.9° | 9.1° |
| C10 | N1 | C8 | H7 | 62.7° | 9.1° |
| C10 | N1 | C8 | H8 | 56.0° | 111.3° |
| N1 | C10 | C11 | H11 | 56.1° | 34.3° |
| N1 | C8 | C9 | H7 | 120.7° | 119.7° |
| N1 | C8 | C9 | H8 | 120.7° | 119.8° |
| C8 | N1 | C10 | C11 | 37.1° | 180.0° |
| C8 | N1 | C7 | H5 | 138.9° | 68.8° |
| C8 | N1 | C7 | H6 | 102.2° | 170.7° |
| N1 | C8 | H7 | H8 | 118.0° | 120.4° |
| N1 | C8 | C9 | H14 | 72.9° | 66.1° |
| N1 | C8 | C9 | H15 | 168.9° | 173.8° |
| C9 | C8 | H7 | H8 | 118.0° | 120.6° |
| C8 | C9 | H14 | H15 | 117.3° | 120.1° |
| C10 | C11 | C13 | C12 | 110.5° | 107.5° |
| C10 | C11 | C13 | H11 | 143.2° | 145.1° |
| C10 | C11 | C12 | H11 | 148.4° | 145.0° |
| C10 | C11 | C13 | H9 | 140.1° | 145.1° |
| C10 | C11 | C13 | H10 | 1.0° | 0.0° |
| C10 | C11 | C12 | H12 | 3.9° | 145.0° |
| C10 | C11 | C12 | H13 | 144.5° | 0.0° |
| C13 | C11 | C12 | H11 | 105.8° | 107.5° |
| C11 | C13 | C12 | H9 | 109.4° | 107.5° |
| C11 | C13 | C12 | H10 | 109.4° | 107.6° |
| C11 | C13 | H9 | H10 | 144.8° | 145.8° |
| C13 | C11 | C12 | H12 | 109.7° | 107.5° |
| C13 | C11 | C12 | H13 | 109.7° | 107.5° |
| C11 | C12 | H12 | H13 | 144.3° | 145.7° |
| C12 | C13 | H9 | H10 | 144.8° | 145.6° |
| C13 | C12 | H12 | H13 | 144.2° | 145.7° |
| H1 | C4 | C5 | H2 | 2.6° | 0.2° |
| H3 | C6 | C7 | H5 | 65.0° | 54.0° |
| H3 | C6 | C7 | H6 | 53.8° | 66.6° |
| H4 | C6 | C7 | H5 | 53.4° | 174.2° |
| H4 | C6 | C7 | H6 | 172.3° | 53.6° |
| H7 | C8 | C9 | H14 | 166.5° | 53.6° |
| H7 | C8 | C9 | H15 | 48.2° | 66.5° |
| H8 | C8 | C9 | H14 | 47.8° | 174.1° |
| H8 | C8 | C9 | H15 | 70.4° | 54.0° |
| H9 | C13 | C11 | H11 | 3.1° | 0.0° |
| H9 | C13 | C12 | H12 | 140.9° | 0.1° |
| H9 | C13 | C12 | H13 | 0.3° | 145.0° |
| H10 | C13 | C11 | H11 | 144.3° | 145.1° |
| H10 | C13 | C12 | H12 | 0.3° | 145.0° |
| H10 | C13 | C12 | H13 | 140.8° | 0.1° |
| H11 | C11 | C12 | H12 | 144.5° | 0.0° |
| H11 | C11 | C12 | H13 | 3.9° | 145.0° |
| H16 | C2 | C1 | H17 | 3.9° | 0.1° |
