TQ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C91 | C92 | sing | 1.51Å | 1.51Å | |
| C91 | CL | sing | 1.80Å | 1.78Å | |
| C92 | C2 | sing | 1.51Å | 1.52Å | |
| C92 | O4 | doub | 1.21Å | 1.22Å | |
| C2 | C5 | sing | 1.53Å | 1.56Å | |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | O8 | doub | 1.21Å | 1.26Å | |
| C7 | O9 | sing | 1.34Å | 1.26Å | |
| C91 | H911 | sing | 1.09Å | 1.10Å | |
| C91 | H912 | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| O9 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C92 | C91 | CL | 114.8° | 109.5° |
| C91 | C92 | C2 | 120.2° | 120.0° |
| C91 | C92 | O4 | 119.3° | 120.0° |
| C92 | C91 | H911 | 107.7° | 109.4° |
| C92 | C91 | H912 | 106.5° | 109.4° |
| CL | C91 | H911 | 107.7° | 109.5° |
| CL | C91 | H912 | 106.5° | 109.5° |
| C2 | C92 | O4 | 120.5° | 120.0° |
| C92 | C2 | C5 | 114.6° | 109.5° |
| C92 | C2 | H21C | 107.8° | 109.5° |
| C92 | C2 | H22C | 106.6° | 109.5° |
| C2 | C5 | C7 | 110.2° | 109.5° |
| C5 | C2 | H21C | 107.8° | 109.5° |
| C5 | C2 | H22C | 106.6° | 109.5° |
| C2 | C5 | H51C | 109.3° | 109.4° |
| C2 | C5 | H52C | 109.1° | 109.4° |
| C5 | C7 | O8 | 118.3° | 120.0° |
| C5 | C7 | O9 | 118.4° | 120.0° |
| C7 | C5 | H51C | 109.2° | 109.5° |
| C7 | C5 | H52C | 109.1° | 109.5° |
| O8 | C7 | O9 | 123.3° | 120.0° |
| C7 | O9 | H9 | 109.5° | 117.0° |
| H911 | C91 | H912 | 113.8° | 109.5° |
| H21C | C2 | H22C | 113.5° | 109.4° |
| H51C | C5 | H52C | 110.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C92 | C91 | CL | H911 | 120.0° | 119.9° |
| C92 | C91 | CL | H912 | 117.6° | 120.0° |
| C91 | C92 | C2 | O4 | 178.5° | 180.0° |
| C91 | C92 | C2 | C5 | 49.5° | 180.0° |
| C92 | C91 | H911 | H912 | 117.8° | 119.9° |
| C91 | C92 | C2 | H21C | 70.5° | 60.0° |
| C91 | C92 | C2 | H22C | 167.3° | 60.0° |
| CL | C91 | C92 | C2 | 48.9° | 180.0° |
| CL | C91 | C92 | O4 | 129.6° | 0.0° |
| CL | C91 | H911 | H912 | 117.8° | 120.1° |
| C92 | C2 | C5 | H21C | 120.0° | 120.0° |
| C92 | C2 | C5 | H22C | 117.7° | 120.0° |
| C92 | C2 | C5 | C7 | 128.9° | 180.0° |
| C2 | C92 | C91 | H911 | 71.1° | 60.0° |
| C2 | C92 | C91 | H912 | 166.5° | 60.0° |
| C92 | C2 | H21C | H22C | 117.9° | 120.0° |
| C92 | C2 | C5 | H51C | 8.9° | 60.0° |
| C92 | C2 | C5 | H52C | 111.4° | 60.0° |
| O4 | C92 | C2 | C5 | 132.0° | 0.0° |
| O4 | C92 | C91 | H911 | 110.4° | 120.0° |
| O4 | C92 | C91 | H912 | 12.0° | 120.0° |
| O4 | C92 | C2 | H21C | 108.0° | 120.0° |
| O4 | C92 | C2 | H22C | 14.2° | 120.0° |
| C2 | C5 | C7 | H51C | 120.0° | 120.0° |
| C2 | C5 | C7 | H52C | 119.7° | 120.0° |
| C2 | C5 | C7 | O8 | 83.6° | 0.0° |
| C2 | C5 | C7 | O9 | 96.4° | 180.0° |
| C5 | C2 | H21C | H22C | 117.9° | 120.0° |
| C2 | C5 | H51C | H52C | 119.7° | 120.0° |
| C5 | C7 | O8 | O9 | 179.9° | 180.0° |
| C7 | C5 | C2 | H21C | 111.1° | 60.0° |
| C7 | C5 | C2 | H22C | 11.1° | 60.0° |
| C7 | C5 | H51C | H52C | 119.7° | 120.0° |
| C5 | C7 | O9 | H9 | 179.9° | 180.0° |
| O8 | C7 | C5 | H51C | 36.4° | 120.0° |
| O8 | C7 | C5 | H52C | 156.7° | 120.0° |
| O8 | C7 | O9 | H9 | 0.0° | 0.0° |
| O9 | C7 | C5 | H51C | 143.5° | 60.0° |
| O9 | C7 | C5 | H52C | 23.3° | 60.0° |
| H21C | C2 | C5 | H51C | 128.9° | 180.0° |
| H21C | C2 | C5 | H52C | 8.6° | 60.1° |
| H22C | C2 | C5 | H51C | 108.9° | 60.1° |
| H22C | C2 | C5 | H52C | 130.8° | 180.0° |
