6FZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.51Å | 1.48Å | |
| C4 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.54Å | 1.54Å | |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | sing | 1.54Å | 1.56Å | |
| C7 | C9 | sing | 1.51Å | 1.56Å | |
| O1 | C9 | doub | 1.21Å | 1.26Å | |
| C9 | O | sing | 1.34Å | 1.23Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O | H9 | sing | 0.97Å | 0.95Å | |
| C | H | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C | C1 | 121.1° | 120.0° |
| C | C5 | C4 | 117.9° | 120.2° |
| C | C5 | H3 | 121.0° | 119.9° |
| C5 | C | H | 119.4° | 120.0° |
| C | C1 | C2 | 120.8° | 119.9° |
| C | C1 | H1 | 119.6° | 120.1° |
| C1 | C | H | 119.5° | 120.1° |
| C5 | C4 | C6 | 128.7° | 130.4° |
| C5 | C4 | C3 | 120.9° | 119.8° |
| C4 | C5 | H3 | 121.1° | 119.8° |
| C1 | C2 | C3 | 118.1° | 120.3° |
| C2 | C1 | H1 | 119.6° | 120.0° |
| C1 | C2 | H2 | 120.9° | 119.9° |
| C6 | C4 | C3 | 110.3° | 109.7° |
| C4 | C6 | C7 | 104.7° | 105.2° |
| C4 | C6 | H4 | 110.7° | 110.3° |
| C4 | C6 | H5 | 110.7° | 110.3° |
| C4 | C3 | C2 | 121.2° | 119.8° |
| C4 | C3 | C8 | 109.6° | 109.8° |
| C6 | C7 | C8 | 102.6° | 102.4° |
| C6 | C7 | C9 | 111.8° | 110.8° |
| C7 | C6 | H4 | 110.7° | 110.3° |
| C7 | C6 | H5 | 110.6° | 110.3° |
| C6 | C7 | H6 | 110.1° | 110.8° |
| C2 | C3 | C8 | 129.3° | 130.4° |
| C3 | C2 | H2 | 120.9° | 119.9° |
| C3 | C8 | C7 | 104.0° | 105.2° |
| C3 | C8 | H7 | 110.8° | 110.3° |
| C3 | C8 | H8 | 110.8° | 110.3° |
| C8 | C7 | C9 | 112.4° | 110.8° |
| C8 | C7 | H6 | 109.8° | 110.8° |
| C7 | C8 | H7 | 110.8° | 110.3° |
| C7 | C8 | H8 | 110.8° | 110.3° |
| C7 | C9 | O1 | 118.5° | 119.9° |
| C7 | C9 | O | 115.9° | 120.0° |
| C9 | C7 | H6 | 109.9° | 110.9° |
| O1 | C9 | O | 125.6° | 120.1° |
| C9 | O | H9 | 109.5° | 117.0° |
| H4 | C6 | H5 | 109.5° | 110.3° |
| H7 | C8 | H8 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C | C1 | H | 180.0° | 179.5° |
| C | C5 | C4 | H3 | 180.0° | 179.7° |
| C5 | C | C1 | C2 | 0.1° | 0.5° |
| C | C5 | C4 | C6 | 177.4° | 179.8° |
| C | C5 | C4 | C3 | 1.7° | 0.3° |
| C5 | C | C1 | H1 | 180.0° | 179.7° |
| C1 | C | C5 | C4 | 1.4° | 0.5° |
| C | C1 | C2 | H1 | 180.0° | 179.8° |
| C | C1 | C2 | C3 | 1.2° | 0.2° |
| C | C1 | C2 | H2 | 178.8° | 179.7° |
| C1 | C | C5 | H3 | 178.6° | 179.7° |
| C5 | C4 | C6 | C3 | 179.2° | 179.9° |
| C5 | C4 | C6 | C7 | 161.7° | 162.8° |
| C5 | C4 | C3 | C2 | 0.6° | 0.0° |
| C5 | C4 | C3 | C8 | 179.8° | 180.0° |
| C5 | C4 | C6 | H4 | 79.0° | 78.3° |
| C5 | C4 | C6 | H5 | 42.5° | 43.9° |
| C4 | C5 | C | H | 178.6° | 180.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C8 | 178.7° | 180.0° |
| C2 | C1 | C | H | 179.9° | 180.0° |
| C4 | C6 | C7 | H4 | 119.3° | 119.0° |
| C4 | C6 | C7 | H5 | 119.2° | 118.9° |
| C6 | C4 | C3 | C2 | 178.7° | 180.0° |
| C6 | C4 | C3 | C8 | 0.9° | 0.0° |
| C4 | C6 | C7 | C8 | 28.3° | 26.3° |
| C4 | C6 | C7 | C9 | 148.9° | 144.6° |
| C6 | C4 | C5 | H3 | 2.5° | 0.1° |
| C4 | C6 | H4 | H5 | 122.2° | 122.1° |
| C4 | C6 | C7 | H6 | 88.6° | 91.8° |
| C3 | C4 | C6 | C7 | 19.0° | 17.2° |
| C4 | C3 | C2 | C8 | 179.5° | 180.0° |
| C4 | C3 | C8 | C7 | 17.3° | 17.2° |
| C4 | C3 | C2 | H2 | 179.1° | 179.9° |
| C3 | C4 | C5 | H3 | 178.3° | 180.0° |
| C3 | C4 | C6 | H4 | 100.2° | 101.8° |
| C3 | C4 | C6 | H5 | 138.3° | 136.1° |
| C4 | C3 | C8 | H7 | 136.4° | 136.1° |
| C4 | C3 | C8 | H8 | 101.9° | 101.7° |
| C6 | C7 | C8 | C3 | 27.6° | 26.3° |
| C6 | C7 | C8 | C9 | 120.2° | 118.2° |
| C6 | C7 | C8 | H6 | 117.1° | 118.2° |
| C6 | C7 | C9 | H6 | 122.5° | 123.5° |
| C6 | C7 | C9 | O1 | 12.0° | 0.1° |
| C6 | C7 | C9 | O | 167.6° | 180.0° |
| C7 | C6 | H4 | H5 | 122.2° | 122.1° |
| C6 | C7 | C8 | H7 | 146.8° | 145.2° |
| C6 | C7 | C8 | H8 | 91.5° | 92.6° |
| C2 | C3 | C8 | C7 | 163.2° | 162.8° |
| C3 | C2 | C1 | H1 | 178.8° | 180.0° |
| C2 | C3 | C8 | H7 | 44.0° | 43.8° |
| C2 | C3 | C8 | H8 | 77.7° | 78.3° |
| C3 | C8 | C7 | H7 | 119.1° | 118.9° |
| C3 | C8 | C7 | H8 | 119.1° | 118.9° |
| C3 | C8 | C7 | C9 | 147.8° | 144.6° |
| C8 | C3 | C2 | H2 | 1.3° | 0.1° |
| C3 | C8 | C7 | H6 | 89.4° | 91.8° |
| C3 | C8 | H7 | H8 | 122.5° | 122.1° |
| C8 | C7 | C9 | H6 | 122.7° | 123.5° |
| C8 | C7 | C9 | O1 | 102.8° | 113.0° |
| C8 | C7 | C9 | O | 77.6° | 67.0° |
| C8 | C7 | C6 | H4 | 91.0° | 92.6° |
| C8 | C7 | C6 | H5 | 147.5° | 145.3° |
| C7 | C8 | H7 | H8 | 122.5° | 122.1° |
| C7 | C9 | O1 | O | 179.6° | 180.0° |
| C9 | C7 | C6 | H4 | 29.7° | 25.6° |
| C9 | C7 | C6 | H5 | 91.8° | 96.5° |
| C9 | C7 | C8 | H7 | 93.0° | 96.5° |
| C9 | C7 | C8 | H8 | 28.7° | 25.7° |
| C7 | C9 | O | H9 | 179.6° | 180.0° |
| O1 | C9 | C7 | H6 | 134.6° | 123.5° |
| O1 | C9 | O | H9 | 0.0° | 0.0° |
| O | C9 | C7 | H6 | 45.1° | 56.5° |
| H1 | C1 | C2 | H2 | 1.2° | 0.1° |
| H1 | C1 | C | H | 0.0° | 0.2° |
| H3 | C5 | C | H | 1.4° | 0.3° |
| H4 | C6 | C7 | H6 | 152.1° | 149.2° |
| H5 | C6 | C7 | H6 | 30.6° | 27.1° |
| H6 | C7 | C8 | H7 | 29.7° | 27.1° |
| H6 | C7 | C8 | H8 | 151.4° | 149.2° |
