9E9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C5 | sing | 1.74Å | 1.72Å | |
| C5 | S1 | sing | 1.71Å | 1.62Å | Aromatic |
| C5 | C6 | doub | 1.34Å | 1.34Å | Aromatic |
| S1 | C2 | sing | 1.76Å | 1.64Å | Aromatic |
| C6 | C7 | sing | 1.37Å | 1.35Å | Aromatic |
| C2 | C7 | doub | 1.37Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.46Å | 1.33Å | |
| O8 | C1 | doub | 1.22Å | 1.25Å | |
| C1 | O9 | sing | 1.35Å | 1.25Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| O9 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C5 | S1 | 124.4° | 124.5° |
| CL1 | C5 | C6 | 125.0° | 124.6° |
| S1 | C5 | C6 | 110.6° | 110.9° |
| C5 | S1 | C2 | 94.2° | 91.6° |
| C5 | C6 | C7 | 112.8° | 115.1° |
| C5 | C6 | H6 | 123.6° | 122.4° |
| S1 | C2 | C7 | 109.7° | 109.1° |
| S1 | C2 | C1 | 124.6° | 125.4° |
| C6 | C7 | C2 | 112.8° | 113.3° |
| C7 | C6 | H6 | 123.6° | 122.5° |
| C6 | C7 | H7 | 123.6° | 123.4° |
| C7 | C2 | C1 | 125.7° | 125.4° |
| C2 | C7 | H7 | 123.6° | 123.3° |
| C2 | C1 | O8 | 119.8° | 120.0° |
| C2 | C1 | O9 | 120.2° | 120.0° |
| O8 | C1 | O9 | 120.0° | 120.0° |
| C1 | O9 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C5 | S1 | C6 | 179.9° | 179.7° |
| CL1 | C5 | S1 | C2 | 179.8° | 180.0° |
| CL1 | C5 | C6 | C7 | 179.9° | 179.8° |
| CL1 | C5 | C6 | H6 | 0.0° | 0.2° |
| S1 | C5 | C6 | C7 | 0.1° | 0.5° |
| C5 | S1 | C2 | C7 | 0.2° | 0.0° |
| C5 | S1 | C2 | C1 | 179.6° | 179.7° |
| S1 | C5 | C6 | H6 | 179.9° | 179.9° |
| C6 | C5 | S1 | C2 | 0.1° | 0.3° |
| C5 | C6 | C7 | H6 | 180.0° | 179.6° |
| C5 | C6 | C7 | C2 | 0.2° | 0.5° |
| C5 | C6 | C7 | H7 | 179.8° | 179.5° |
| S1 | C2 | C7 | C6 | 0.3° | 0.2° |
| S1 | C2 | C7 | C1 | 179.3° | 179.7° |
| S1 | C2 | C1 | O8 | 1.2° | 180.0° |
| S1 | C2 | C1 | O9 | 177.7° | 0.3° |
| S1 | C2 | C7 | H7 | 179.7° | 179.8° |
| C6 | C7 | C2 | H7 | 180.0° | 180.0° |
| C6 | C7 | C2 | C1 | 179.6° | 180.0° |
| C7 | C2 | C1 | O8 | 179.6° | 0.3° |
| C7 | C2 | C1 | O9 | 1.6° | 180.0° |
| C2 | C7 | C6 | H6 | 179.7° | 179.9° |
| C2 | C1 | O8 | O9 | 178.8° | 179.7° |
| C1 | C2 | C7 | H7 | 0.4° | 0.1° |
| C2 | C1 | O9 | H1 | 178.8° | 180.0° |
| O8 | C1 | O9 | H1 | 0.0° | 0.3° |
| H6 | C6 | C7 | H7 | 0.2° | 0.0° |
