GZQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C1 | sing | 1.74Å | 1.81Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | N | sing | 1.46Å | 1.48Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | CL2 | sing | 1.74Å | 1.68Å | |
| C6 | N | sing | 1.40Å | 1.34Å | |
| N | C8 | sing | 1.35Å | 1.36Å | |
| C8 | O | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.51Å | 1.55Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C1 | C2 | 120.6° | 120.0° |
| CL1 | C1 | C4 | 119.7° | 119.9° |
| C2 | C1 | C4 | 119.7° | 120.1° |
| C1 | C2 | C3 | 120.1° | 120.1° |
| C1 | C2 | H9 | 119.9° | 119.9° |
| C1 | C4 | C5 | 119.1° | 120.0° |
| C1 | C4 | H1 | 120.5° | 119.9° |
| C2 | C3 | C6 | 121.0° | 120.0° |
| C2 | C3 | H8 | 119.5° | 120.0° |
| C3 | C2 | H9 | 120.0° | 120.0° |
| C7 | N | C6 | 120.5° | 120.0° |
| C7 | N | C8 | 117.3° | 120.0° |
| N | C7 | H2 | 109.5° | 109.5° |
| N | C7 | H3 | 109.5° | 109.5° |
| N | C7 | H4 | 109.5° | 109.5° |
| C4 | C5 | C6 | 121.4° | 119.9° |
| C4 | C5 | CL2 | 116.6° | 120.0° |
| C5 | C4 | H1 | 120.5° | 120.0° |
| C3 | C6 | C5 | 118.7° | 119.8° |
| C3 | C6 | N | 120.2° | 120.1° |
| C6 | C3 | H8 | 119.5° | 120.0° |
| C6 | C5 | CL2 | 121.9° | 120.1° |
| C5 | C6 | N | 121.1° | 120.0° |
| C6 | N | C8 | 121.9° | 120.0° |
| N | C8 | O | 123.3° | 120.0° |
| N | C8 | C9 | 117.5° | 120.0° |
| O | C8 | C9 | 119.2° | 120.0° |
| C8 | C9 | H5 | 109.5° | 109.5° |
| C8 | C9 | H6 | 109.4° | 109.4° |
| C8 | C9 | H7 | 109.4° | 109.5° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H2 | C7 | H4 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.4° | 109.4° |
| H5 | C9 | H6 | 109.4° | 109.4° |
| H5 | C9 | H7 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C1 | C2 | C4 | 178.5° | 179.4° |
| CL1 | C1 | C2 | C3 | 177.9° | 179.9° |
| CL1 | C1 | C4 | C5 | 179.0° | 180.0° |
| CL1 | C1 | C4 | H1 | 1.0° | 0.2° |
| CL1 | C1 | C2 | H9 | 2.1° | 0.6° |
| C1 | C2 | C3 | H9 | 180.0° | 179.5° |
| C2 | C1 | C4 | C5 | 0.5° | 0.5° |
| C1 | C2 | C3 | C6 | 1.0° | 0.2° |
| C2 | C1 | C4 | H1 | 179.5° | 179.7° |
| C1 | C2 | C3 | H8 | 179.0° | 179.7° |
| C4 | C1 | C2 | C3 | 0.6° | 0.5° |
| C1 | C4 | C5 | H1 | 180.0° | 179.8° |
| C1 | C4 | C5 | C6 | 1.2° | 0.2° |
| C1 | C4 | C5 | CL2 | 179.4° | 179.7° |
| C4 | C1 | C2 | H9 | 179.4° | 180.0° |
| C2 | C3 | C6 | H8 | 180.0° | 179.9° |
| C2 | C3 | C6 | C5 | 0.3° | 0.1° |
| C2 | C3 | C6 | N | 179.7° | 180.0° |
| C7 | N | C6 | C3 | 99.8° | 89.9° |
| C7 | N | C6 | C5 | 80.2° | 90.0° |
| C7 | N | C6 | C8 | 174.7° | 180.0° |
| C7 | N | C8 | O | 0.9° | 180.0° |
| C7 | N | C8 | C9 | 179.5° | 0.0° |
| N | C7 | H2 | H3 | 120.0° | 120.0° |
| N | C7 | H2 | H4 | 120.0° | 120.0° |
| N | C7 | H3 | H4 | 120.0° | 120.0° |
| C4 | C5 | C6 | C3 | 0.8° | 0.1° |
| C4 | C5 | C6 | CL2 | 179.3° | 180.0° |
| C4 | C5 | C6 | N | 179.2° | 180.0° |
| C3 | C6 | C5 | N | 180.0° | 179.9° |
| C3 | C6 | C5 | CL2 | 179.9° | 179.9° |
| C3 | C6 | N | C8 | 74.9° | 90.1° |
| C6 | C3 | C2 | H9 | 179.0° | 179.7° |
| C5 | C6 | N | C8 | 105.1° | 90.1° |
| C6 | C5 | C4 | H1 | 178.8° | 180.0° |
| C5 | C6 | C3 | H8 | 179.7° | 180.0° |
| CL2 | C5 | C6 | N | 0.2° | 0.1° |
| CL2 | C5 | C4 | H1 | 0.6° | 0.1° |
| C6 | N | C8 | O | 175.8° | 0.0° |
| C6 | N | C8 | C9 | 5.5° | 180.0° |
| C6 | N | C7 | H2 | 180.0° | 90.0° |
| C6 | N | C7 | H3 | 60.0° | 149.9° |
| C6 | N | C7 | H4 | 60.0° | 30.0° |
| N | C6 | C3 | H8 | 0.3° | 0.1° |
| N | C8 | O | C9 | 178.6° | 180.0° |
| C8 | N | C7 | H2 | 5.0° | 90.0° |
| C8 | N | C7 | H3 | 115.0° | 30.0° |
| C8 | N | C7 | H4 | 125.0° | 150.0° |
| N | C8 | C9 | H5 | 178.7° | 180.0° |
| N | C8 | C9 | H6 | 58.7° | 60.0° |
| N | C8 | C9 | H7 | 61.3° | 59.9° |
| O | C8 | C9 | H5 | 0.0° | 0.0° |
| O | C8 | C9 | H6 | 120.0° | 120.0° |
| O | C8 | C9 | H7 | 120.0° | 120.0° |
| C8 | C9 | H5 | H6 | 120.0° | 120.0° |
| C8 | C9 | H5 | H7 | 120.0° | 120.0° |
| C8 | C9 | H6 | H7 | 120.0° | 120.0° |
| H2 | C7 | H3 | H4 | 120.0° | 120.0° |
| H5 | C9 | H6 | H7 | 120.0° | 120.0° |
| H8 | C3 | C2 | H9 | 1.0° | 0.3° |
