9EW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.37Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.43Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| O2 | C7 | sing | 1.36Å | 1.31Å | |
| C7 | N1 | doub | 1.30Å | 1.31Å | Aromatic |
| C5 | O1 | sing | 1.35Å | 1.36Å | Aromatic |
| N1 | O1 | sing | 1.41Å | 1.44Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 120.8° | 120.5° |
| C2 | C1 | C6 | 117.6° | 119.8° |
| C2 | C1 | H4 | 121.2° | 120.1° |
| C1 | C2 | H5 | 119.6° | 119.7° |
| C2 | C3 | C4 | 120.9° | 120.6° |
| C2 | C3 | H3 | 119.6° | 119.7° |
| C3 | C2 | H5 | 119.6° | 119.8° |
| C1 | C6 | C7 | 133.0° | 133.7° |
| C1 | C6 | C5 | 120.6° | 119.9° |
| C6 | C1 | H4 | 121.2° | 120.1° |
| C3 | C4 | C5 | 117.2° | 119.8° |
| C3 | C4 | H1 | 121.4° | 120.1° |
| C4 | C3 | H3 | 119.6° | 119.7° |
| C7 | C6 | C5 | 106.3° | 106.4° |
| C6 | C7 | O2 | 125.4° | 126.3° |
| C6 | C7 | N1 | 110.3° | 107.3° |
| C6 | C5 | C4 | 122.9° | 119.4° |
| C6 | C5 | O1 | 108.6° | 107.2° |
| C4 | C5 | O1 | 128.5° | 133.4° |
| C5 | C4 | H1 | 121.4° | 120.1° |
| O2 | C7 | N1 | 124.2° | 126.4° |
| C7 | O2 | H2 | 109.5° | 114.0° |
| C7 | N1 | O1 | 106.5° | 109.7° |
| C5 | O1 | N1 | 108.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H5 | 180.0° | 179.2° |
| C2 | C1 | C6 | H4 | 180.0° | 179.5° |
| C1 | C2 | C3 | C4 | 2.2° | 0.5° |
| C2 | C1 | C6 | C7 | 179.9° | 179.5° |
| C2 | C1 | C6 | C5 | 0.8° | 0.5° |
| C1 | C2 | C3 | H3 | 177.7° | 179.5° |
| C3 | C2 | C1 | C6 | 0.3° | 0.8° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 2.9° | 0.1° |
| C2 | C3 | C4 | H1 | 177.1° | 179.8° |
| C3 | C2 | C1 | H4 | 179.7° | 179.7° |
| C1 | C6 | C7 | C5 | 179.1° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C1 | C6 | C7 | O2 | 1.9° | 0.0° |
| C1 | C6 | C7 | N1 | 179.3° | 180.0° |
| C1 | C6 | C5 | O1 | 179.2° | 180.0° |
| C6 | C1 | C2 | H5 | 179.7° | 180.0° |
| C3 | C4 | C5 | C6 | 1.8° | 0.2° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | O1 | 179.1° | 179.8° |
| C4 | C3 | C2 | H5 | 177.8° | 179.8° |
| C7 | C6 | C5 | C4 | 179.3° | 180.0° |
| C6 | C7 | O2 | N1 | 178.7° | 180.0° |
| C7 | C6 | C5 | O1 | 0.1° | 0.0° |
| C6 | C7 | N1 | O1 | 2.5° | 0.0° |
| C7 | C6 | C1 | H4 | 0.2° | 0.0° |
| C6 | C7 | O2 | H2 | 178.8° | 90.0° |
| C6 | C5 | C4 | O1 | 179.0° | 180.0° |
| C5 | C6 | C7 | O2 | 177.3° | 180.0° |
| C5 | C6 | C7 | N1 | 1.6° | 0.0° |
| C6 | C5 | O1 | N1 | 1.6° | 0.0° |
| C6 | C5 | C4 | H1 | 178.2° | 180.0° |
| C5 | C6 | C1 | H4 | 179.2° | 179.9° |
| C4 | C5 | O1 | N1 | 179.2° | 180.0° |
| C5 | C4 | C3 | H3 | 177.1° | 180.0° |
| O2 | C7 | N1 | O1 | 176.4° | 180.0° |
| C7 | N1 | O1 | C5 | 2.6° | 0.0° |
| N1 | C7 | O2 | H2 | 0.0° | 90.0° |
| O1 | C5 | C4 | H1 | 0.8° | 0.0° |
| H1 | C4 | C3 | H3 | 2.9° | 0.2° |
| H3 | C3 | C2 | H5 | 2.2° | 0.2° |
| H4 | C1 | C2 | H5 | 0.3° | 0.4° |
