8OB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C9 | sing | 1.74Å | 1.74Å | |
| C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | N | doub | 1.32Å | 1.34Å | Aromatic |
| C | CL | sing | 1.74Å | 1.73Å | |
| C | C1 | doub | 1.39Å | 1.42Å | Aromatic |
| N | C1 | sing | 1.32Å | 1.32Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.36Å | |
| O | C2 | sing | 1.36Å | 1.40Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | O1 | sing | 1.36Å | 1.37Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H | sing | 1.08Å | 1.08Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C9 | C10 | 119.2° | 120.3° |
| CL1 | C9 | C8 | 120.0° | 120.3° |
| C10 | C9 | C8 | 120.8° | 119.3° |
| C9 | C10 | C | 118.2° | 118.4° |
| C9 | C10 | H6 | 120.9° | 120.8° |
| C9 | C8 | N | 122.2° | 120.8° |
| C9 | C8 | H5 | 118.9° | 119.6° |
| C10 | C | CL | 118.6° | 120.4° |
| C10 | C | C1 | 116.9° | 119.1° |
| C | C10 | H6 | 120.9° | 120.8° |
| C8 | N | C1 | 117.4° | 121.6° |
| N | C8 | H5 | 118.9° | 119.6° |
| CL | C | C1 | 124.6° | 120.5° |
| C | C1 | N | 124.5° | 120.7° |
| C | C1 | O | 114.9° | 119.7° |
| N | C1 | O | 120.6° | 119.6° |
| C1 | O | C2 | 118.7° | 118.0° |
| O | C2 | C3 | 119.7° | 120.0° |
| O | C2 | C7 | 120.0° | 120.0° |
| C3 | C2 | C7 | 120.3° | 120.0° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | H | 120.0° | 120.0° |
| C2 | C7 | C6 | 119.9° | 120.0° |
| C2 | C7 | H4 | 120.0° | 119.9° |
| C3 | C4 | C5 | 119.8° | 120.0° |
| C4 | C3 | H | 120.0° | 120.0° |
| C3 | C4 | H1 | 120.1° | 120.1° |
| C7 | C6 | C5 | 119.8° | 120.0° |
| C7 | C6 | H3 | 120.1° | 120.0° |
| C6 | C7 | H4 | 120.0° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C4 | C5 | O1 | 119.8° | 120.1° |
| C5 | C4 | H1 | 120.1° | 119.9° |
| C6 | C5 | O1 | 120.0° | 120.0° |
| C5 | C6 | H3 | 120.1° | 120.0° |
| C5 | O1 | H2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C9 | C10 | C8 | 179.2° | 180.0° |
| CL1 | C9 | C10 | C | 179.0° | 180.0° |
| CL1 | C9 | C8 | N | 178.2° | 180.0° |
| CL1 | C9 | C10 | H6 | 1.0° | 0.0° |
| CL1 | C9 | C8 | H5 | 1.8° | 0.0° |
| C9 | C10 | C | H6 | 180.0° | 180.0° |
| C10 | C9 | C8 | N | 0.9° | 0.0° |
| C9 | C10 | C | CL | 178.2° | 180.0° |
| C9 | C10 | C | C1 | 0.8° | 0.0° |
| C10 | C9 | C8 | H5 | 179.0° | 180.0° |
| C8 | C9 | C10 | C | 0.2° | 0.0° |
| C9 | C8 | N | H5 | 180.0° | 180.0° |
| C9 | C8 | N | C1 | 0.6° | 0.0° |
| C8 | C9 | C10 | H6 | 179.8° | 180.0° |
| C10 | C | CL | C1 | 178.9° | 180.0° |
| C10 | C | C1 | N | 1.1° | 0.0° |
| C10 | C | C1 | O | 177.8° | 180.0° |
| C8 | N | C1 | C | 0.4° | 0.0° |
| C8 | N | C1 | O | 178.4° | 180.0° |
| CL | C | C1 | N | 177.8° | 180.0° |
| CL | C | C1 | O | 3.3° | 0.0° |
| CL | C | C10 | H6 | 1.8° | 0.0° |
| C | C1 | N | O | 178.8° | 180.0° |
| C | C1 | O | C2 | 178.7° | 174.1° |
| C1 | C | C10 | H6 | 179.2° | 180.0° |
| N | C1 | O | C2 | 0.2° | 5.9° |
| C1 | N | C8 | H5 | 179.4° | 180.0° |
| C1 | O | C2 | C3 | 86.2° | 70.5° |
| C1 | O | C2 | C7 | 96.2° | 109.7° |
| O | C2 | C3 | C7 | 177.6° | 179.8° |
| O | C2 | C3 | C4 | 176.1° | 180.0° |
| O | C2 | C7 | C6 | 175.8° | 179.7° |
| O | C2 | C3 | H | 3.9° | 0.0° |
| O | C2 | C7 | H4 | 4.2° | 0.0° |
| C2 | C3 | C4 | H | 180.0° | 180.0° |
| C3 | C2 | C7 | C6 | 1.8° | 0.5° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C2 | C3 | C4 | H1 | 179.9° | 180.0° |
| C3 | C2 | C7 | H4 | 178.2° | 179.8° |
| C7 | C2 | C3 | C4 | 1.5° | 0.2° |
| C2 | C7 | C6 | H4 | 180.0° | 179.7° |
| C2 | C7 | C6 | C5 | 0.4° | 0.5° |
| C7 | C2 | C3 | H | 178.5° | 179.8° |
| C2 | C7 | C6 | H3 | 179.6° | 179.7° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.5° | 0.1° |
| C3 | C4 | C5 | O1 | 176.7° | 179.9° |
| C7 | C6 | C5 | C4 | 1.2° | 0.2° |
| C7 | C6 | C5 | H3 | 180.0° | 179.8° |
| C7 | C6 | C5 | O1 | 177.0° | 179.8° |
| C4 | C5 | C6 | O1 | 178.2° | 180.0° |
| C5 | C4 | C3 | H | 179.9° | 180.0° |
| C4 | C5 | C6 | H3 | 178.8° | 180.0° |
| C4 | C5 | O1 | H2 | 180.0° | 90.0° |
| C6 | C5 | C4 | H1 | 178.5° | 180.0° |
| C5 | C6 | C7 | H4 | 179.5° | 179.8° |
| C6 | C5 | O1 | H2 | 1.8° | 90.0° |
| O1 | C5 | C4 | H1 | 3.3° | 0.0° |
| O1 | C5 | C6 | H3 | 3.0° | 0.0° |
| H | C3 | C4 | H1 | 0.1° | 0.0° |
| H3 | C6 | C7 | H4 | 0.5° | 0.0° |
