ZQT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C4A | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C5A | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C9A | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C9A | C9 | sing | 1.50Å | 1.50Å | |
| C9A | C4A | sing | 1.39Å | 1.40Å | Aromatic |
| C8A | C5A | sing | 1.39Å | 1.39Å | Aromatic |
| C8A | C9 | sing | 1.50Å | 1.50Å | |
| C8A | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C4A | O10 | sing | 1.35Å | 1.37Å | |
| C5A | O10 | sing | 1.35Å | 1.37Å | |
| C3 | O3 | sing | 1.36Å | 1.37Å | |
| C6 | O6 | sing | 1.36Å | 1.36Å | |
| C1 | O1 | sing | 1.36Å | 1.38Å | |
| C8 | O8 | sing | 1.36Å | 1.38Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O8 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4A | C4 | C3 | 119.9° | 120.2° |
| C4 | C4A | C9A | 121.6° | 119.8° |
| C4 | C4A | O10 | 116.1° | 119.1° |
| C4A | C4 | H4 | 120.1° | 119.9° |
| C4 | C3 | C2 | 120.1° | 119.9° |
| C4 | C3 | O3 | 115.7° | 120.0° |
| C3 | C4 | H4 | 120.1° | 119.9° |
| C6 | C5 | C5A | 119.3° | 120.2° |
| C5 | C6 | C7 | 120.0° | 119.9° |
| C5 | C6 | O6 | 117.2° | 120.1° |
| C6 | C5 | H5 | 120.3° | 119.9° |
| C5 | C5A | C8A | 122.5° | 119.8° |
| C5 | C5A | O10 | 114.8° | 119.1° |
| C5A | C5 | H5 | 120.3° | 119.9° |
| C3 | C2 | C1 | 118.9° | 119.9° |
| C2 | C3 | O3 | 124.2° | 120.0° |
| C3 | C2 | H2 | 120.5° | 120.0° |
| C2 | C1 | C9A | 121.9° | 120.2° |
| C2 | C1 | O1 | 124.0° | 119.8° |
| C1 | C2 | H2 | 120.5° | 120.1° |
| C8 | C7 | C6 | 119.6° | 120.0° |
| C7 | C8 | C8A | 121.9° | 120.2° |
| C7 | C8 | O8 | 121.4° | 119.9° |
| C8 | C7 | H7 | 120.2° | 120.0° |
| C7 | C6 | O6 | 122.7° | 120.0° |
| C6 | C7 | H7 | 120.2° | 120.0° |
| C1 | C9A | C9 | 120.0° | 119.3° |
| C1 | C9A | C4A | 117.5° | 119.9° |
| C9A | C1 | O1 | 114.1° | 119.9° |
| C9 | C9A | C4A | 122.4° | 120.8° |
| C9A | C9 | C8A | 110.9° | 110.7° |
| C9A | C9 | H92 | 109.1° | 108.7° |
| C9A | C9 | H91 | 109.1° | 109.7° |
| C9A | C4A | O10 | 122.2° | 121.1° |
| C5A | C8A | C9 | 122.5° | 120.9° |
| C5A | C8A | C8 | 116.6° | 119.9° |
| C8A | C5A | O10 | 122.6° | 121.1° |
| C9 | C8A | C8 | 120.8° | 119.2° |
| C8A | C9 | H92 | 109.1° | 109.2° |
| C8A | C9 | H91 | 109.1° | 109.2° |
| C8A | C8 | O8 | 116.7° | 119.9° |
| C4A | O10 | C5A | 119.2° | 120.1° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C8 | O8 | H8 | 109.5° | 114.0° |
| H92 | C9 | H91 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4A | C4 | C3 | H4 | 180.0° | 179.7° |
| C4A | C4 | C3 | C2 | 0.7° | 0.0° |
| C4 | C4A | C9A | C1 | 1.2° | 0.6° |
| C4 | C4A | C9A | C9 | 178.8° | 179.7° |
| C4 | C4A | C9A | O10 | 178.5° | 179.7° |
| C4 | C4A | O10 | C5A | 177.0° | 160.1° |
| C4A | C4 | C3 | O3 | 179.7° | 180.0° |
| C4 | C3 | C2 | O3 | 179.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C3 | C4 | C4A | C9A | 1.4° | 0.3° |
| C3 | C4 | C4A | O10 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 179.7° | 180.0° |
| C4 | C3 | O3 | HO3 | 180.0° | 90.0° |
| C6 | C5 | C5A | H5 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 2.2° | 0.1° |
| C5 | C6 | C7 | O6 | 176.9° | 180.0° |
| C6 | C5 | C5A | C8A | 1.1° | 0.0° |
| C6 | C5 | C5A | O10 | 179.6° | 179.9° |
| C5 | C6 | C7 | H7 | 177.9° | 180.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 90.0° |
| C5A | C5 | C6 | C7 | 2.1° | 0.0° |
| C5 | C5A | C8A | O10 | 179.2° | 180.0° |
| C5 | C5A | C8A | C9 | 179.4° | 179.5° |
| C5 | C5A | C8A | C8 | 0.1° | 0.1° |
| C5 | C5A | O10 | C4A | 178.2° | 160.1° |
| C5A | C5 | C6 | O6 | 179.2° | 179.9° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C9A | 0.5° | 0.3° |
| C3 | C2 | C1 | O1 | 179.2° | 180.0° |
| C2 | C3 | C4 | H4 | 179.3° | 179.7° |
| C2 | C3 | O3 | HO3 | 1.0° | 90.1° |
| C2 | C1 | C9A | O1 | 179.8° | 179.7° |
| C2 | C1 | C9A | C9 | 179.7° | 179.8° |
| C2 | C1 | C9A | C4A | 0.2° | 0.5° |
| C1 | C2 | C3 | O3 | 178.7° | 180.0° |
| C2 | C1 | O1 | H1 | 180.0° | 90.0° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C7 | C8 | C8A | C5A | 0.1° | 0.2° |
| C7 | C8 | C8A | C9 | 179.5° | 179.6° |
| C7 | C8 | C8A | O8 | 179.9° | 179.9° |
| C8 | C7 | C6 | O6 | 179.0° | 180.0° |
| C7 | C8 | O8 | H8 | 180.0° | 90.1° |
| C6 | C7 | C8 | C8A | 1.2° | 0.2° |
| C6 | C7 | C8 | O8 | 178.7° | 179.9° |
| C7 | C6 | C5 | H5 | 177.9° | 180.0° |
| C7 | C6 | O6 | HO6 | 3.1° | 90.1° |
| C1 | C9A | C9 | C4A | 179.9° | 179.7° |
| C1 | C9A | C9 | C8A | 177.6° | 163.3° |
| C1 | C9A | C4A | O10 | 179.7° | 179.7° |
| C9A | C1 | C2 | H2 | 179.5° | 179.8° |
| C1 | C9A | C9 | H92 | 57.4° | 76.7° |
| C1 | C9A | C9 | H91 | 62.2° | 42.6° |
| C9A | C1 | O1 | H1 | 0.3° | 90.2° |
| C9A | C9 | C8A | C5A | 2.8° | 16.8° |
| C9A | C9 | C8A | H92 | 120.2° | 119.7° |
| C9A | C9 | C8A | H91 | 120.2° | 120.9° |
| C9A | C9 | C8A | C8 | 177.9° | 162.7° |
| C9 | C9A | C4A | O10 | 0.2° | 0.0° |
| C9 | C9A | C1 | O1 | 0.0° | 0.0° |
| C9A | C9 | H92 | H91 | 119.3° | 119.7° |
| C4A | C9A | C9 | C8A | 2.3° | 17.0° |
| C9A | C4A | O10 | C5A | 1.6° | 19.7° |
| C4A | C9A | C1 | O1 | 179.9° | 179.7° |
| C9A | C4A | C4 | H4 | 178.6° | 180.0° |
| C4A | C9A | C9 | H92 | 122.5° | 103.0° |
| C4A | C9A | C9 | H91 | 117.9° | 137.7° |
| C5A | C8A | C9 | C8 | 179.3° | 179.5° |
| C8A | C5A | O10 | C4A | 1.1° | 20.0° |
| C5A | C8A | C8 | O8 | 179.8° | 179.9° |
| C8A | C5A | C5 | H5 | 178.9° | 180.0° |
| C5A | C8A | C9 | H92 | 123.0° | 102.9° |
| C5A | C8A | C9 | H91 | 117.4° | 137.7° |
| C9 | C8A | C5A | O10 | 1.3° | 0.5° |
| C9 | C8A | C8 | O8 | 0.4° | 0.5° |
| C8A | C9 | H92 | H91 | 119.3° | 119.4° |
| C8 | C8A | C5A | O10 | 179.3° | 180.0° |
| C8A | C8 | C7 | H7 | 178.9° | 179.9° |
| C8 | C8A | C9 | H92 | 57.6° | 77.6° |
| C8 | C8A | C9 | H91 | 61.9° | 41.8° |
| C8A | C8 | O8 | H8 | 0.1° | 90.0° |
| O10 | C4A | C4 | H4 | 0.0° | 0.3° |
| O10 | C5A | C5 | H5 | 0.4° | 0.0° |
| O3 | C3 | C2 | H2 | 1.3° | 0.0° |
| O3 | C3 | C4 | H4 | 0.3° | 0.3° |
| O6 | C6 | C5 | H5 | 0.9° | 0.0° |
| O6 | C6 | C7 | H7 | 1.0° | 0.0° |
| O1 | C1 | C2 | H2 | 0.8° | 0.0° |
| O8 | C8 | C7 | H7 | 1.2° | 0.0° |
