GHQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.40Å | 1.31Å | |
| O1 | C4 | doub | 1.21Å | 1.21Å | |
| C1 | F2 | sing | 1.40Å | 1.32Å | |
| C1 | F3 | sing | 1.40Å | 1.34Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | N1 | sing | 1.46Å | 1.44Å | |
| C4 | N1 | sing | 1.35Å | 1.31Å | |
| C4 | C5 | sing | 1.48Å | 1.49Å | |
| C10 | C5 | doub | 1.40Å | 1.36Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.37Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.34Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.35Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | F2 | 104.7° | 109.5° |
| F1 | C1 | F3 | 110.9° | 109.5° |
| F1 | C1 | C2 | 110.5° | 109.5° |
| O1 | C4 | N1 | 117.0° | 120.0° |
| O1 | C4 | C5 | 121.1° | 120.0° |
| F2 | C1 | F3 | 112.4° | 109.5° |
| F2 | C1 | C2 | 108.7° | 109.5° |
| F3 | C1 | C2 | 109.5° | 109.5° |
| C1 | C2 | C3 | 108.8° | 109.5° |
| C1 | C2 | H9 | 109.7° | 109.5° |
| C1 | C2 | H10 | 109.7° | 109.4° |
| C2 | C3 | N1 | 108.9° | 109.5° |
| C2 | C3 | H7 | 109.6° | 109.5° |
| C2 | C3 | H8 | 109.6° | 109.5° |
| C3 | C2 | H9 | 109.7° | 109.5° |
| C3 | C2 | H10 | 109.7° | 109.5° |
| C3 | N1 | C4 | 119.7° | 120.0° |
| C3 | N1 | H6 | 120.1° | 120.0° |
| N1 | C3 | H7 | 109.6° | 109.5° |
| N1 | C3 | H8 | 109.6° | 109.4° |
| N1 | C4 | C5 | 121.7° | 120.0° |
| C4 | N1 | H6 | 120.1° | 120.0° |
| C4 | C5 | C10 | 120.9° | 120.2° |
| C4 | C5 | C6 | 122.5° | 120.1° |
| C5 | C10 | C9 | 121.5° | 119.9° |
| C10 | C5 | C6 | 116.5° | 119.7° |
| C5 | C10 | H5 | 119.2° | 120.0° |
| C10 | C9 | C8 | 122.6° | 120.1° |
| C10 | C9 | H4 | 118.7° | 119.9° |
| C9 | C10 | H5 | 119.3° | 120.1° |
| C5 | C6 | C7 | 120.7° | 119.8° |
| C5 | C6 | H1 | 119.7° | 120.1° |
| C9 | C8 | C7 | 116.8° | 120.3° |
| C9 | C8 | H3 | 121.6° | 119.8° |
| C8 | C9 | H4 | 118.7° | 120.0° |
| C6 | C7 | C8 | 121.9° | 120.2° |
| C7 | C6 | H1 | 119.7° | 120.1° |
| C6 | C7 | H2 | 119.0° | 119.9° |
| C8 | C7 | H2 | 119.1° | 120.0° |
| C7 | C8 | H3 | 121.6° | 119.8° |
| H7 | C3 | H8 | 109.5° | 109.4° |
| H9 | C2 | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | F2 | F3 | 120.5° | 120.0° |
| F1 | C1 | F2 | C2 | 118.1° | 120.0° |
| F1 | C1 | F3 | C2 | 122.2° | 120.0° |
| F1 | C1 | C2 | C3 | 48.2° | 60.0° |
| F1 | C1 | C2 | H9 | 168.1° | 60.0° |
| F1 | C1 | C2 | H10 | 71.7° | 180.0° |
| O1 | C4 | N1 | C3 | 12.2° | 0.3° |
| O1 | C4 | N1 | C5 | 174.5° | 179.7° |
| O1 | C4 | C5 | C10 | 15.1° | 179.4° |
| O1 | C4 | C5 | C6 | 162.3° | 0.3° |
| O1 | C4 | N1 | H6 | 167.8° | 179.7° |
| F2 | C1 | F3 | C2 | 120.9° | 120.0° |
| F2 | C1 | C2 | C3 | 66.2° | 60.0° |
| F2 | C1 | C2 | H9 | 53.7° | 180.0° |
| F2 | C1 | C2 | H10 | 173.9° | 60.0° |
| F3 | C1 | C2 | C3 | 170.6° | 180.0° |
| F3 | C1 | C2 | H9 | 69.5° | 60.0° |
| F3 | C1 | C2 | H10 | 50.7° | 60.0° |
| C1 | C2 | C3 | H9 | 119.9° | 120.0° |
| C1 | C2 | C3 | H10 | 119.9° | 120.0° |
| C1 | C2 | C3 | N1 | 173.1° | 180.0° |
| C1 | C2 | C3 | H7 | 67.0° | 60.0° |
| C1 | C2 | C3 | H8 | 53.2° | 60.0° |
| C1 | C2 | H9 | H10 | 120.3° | 120.0° |
| C2 | C3 | N1 | H7 | 119.9° | 120.0° |
| C2 | C3 | N1 | H8 | 119.9° | 120.0° |
| C2 | C3 | N1 | C4 | 128.4° | 180.0° |
| C2 | C3 | N1 | H6 | 51.6° | 0.0° |
| C2 | C3 | H7 | H8 | 120.2° | 120.1° |
| C3 | C2 | H9 | H10 | 120.3° | 120.1° |
| C3 | N1 | C4 | H6 | 180.0° | 179.9° |
| C3 | N1 | C4 | C5 | 162.3° | 180.0° |
| N1 | C3 | H7 | H8 | 120.3° | 119.9° |
| N1 | C3 | C2 | H9 | 53.2° | 60.0° |
| N1 | C3 | C2 | H10 | 67.0° | 60.0° |
| N1 | C4 | C5 | C10 | 170.7° | 0.3° |
| N1 | C4 | C5 | C6 | 11.9° | 180.0° |
| C4 | N1 | C3 | H7 | 8.5° | 59.9° |
| C4 | N1 | C3 | H8 | 111.7° | 60.0° |
| C4 | C5 | C10 | C6 | 177.5° | 179.8° |
| C4 | C5 | C10 | C9 | 177.0° | 179.7° |
| C4 | C5 | C6 | C7 | 176.5° | 180.0° |
| C4 | C5 | C6 | H1 | 3.4° | 0.0° |
| C4 | C5 | C10 | H5 | 2.9° | 0.0° |
| C5 | C4 | N1 | H6 | 17.7° | 0.1° |
| C5 | C10 | C9 | H5 | 180.0° | 179.7° |
| C5 | C10 | C9 | C8 | 0.9° | 0.6° |
| C10 | C5 | C6 | C7 | 0.9° | 0.2° |
| C10 | C5 | C6 | H1 | 179.1° | 179.7° |
| C5 | C10 | C9 | H4 | 179.1° | 179.7° |
| C9 | C10 | C5 | C6 | 0.5° | 0.5° |
| C10 | C9 | C8 | H4 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 1.8° | 0.3° |
| C10 | C9 | C8 | H3 | 178.2° | 179.7° |
| C5 | C6 | C7 | H1 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| C5 | C6 | C7 | H2 | 179.9° | 180.0° |
| C6 | C5 | C10 | H5 | 179.6° | 179.7° |
| C9 | C8 | C7 | C6 | 1.3° | 0.0° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | H2 | 178.7° | 180.0° |
| C8 | C9 | C10 | H5 | 179.1° | 179.7° |
| C6 | C7 | C8 | H2 | 180.0° | 180.0° |
| C6 | C7 | C8 | H3 | 178.7° | 180.0° |
| C8 | C7 | C6 | H1 | 180.0° | 180.0° |
| C7 | C8 | C9 | H4 | 178.2° | 180.0° |
| H1 | C6 | C7 | H2 | 0.0° | 0.0° |
| H2 | C7 | C8 | H3 | 1.3° | 0.0° |
| H3 | C8 | C9 | H4 | 1.8° | 0.0° |
| H4 | C9 | C10 | H5 | 0.9° | 0.0° |
| H6 | N1 | C3 | H7 | 171.5° | 120.0° |
| H6 | N1 | C3 | H8 | 68.3° | 120.1° |
| H7 | C3 | C2 | H9 | 173.1° | 180.0° |
| H7 | C3 | C2 | H10 | 52.9° | 60.0° |
| H8 | C3 | C2 | H9 | 66.7° | 60.0° |
| H8 | C3 | C2 | H10 | 173.1° | 180.0° |
