CLW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | H11 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | H21 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.49Å | Aromatic |
| C4 | N1 | sing | 1.39Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.49Å | Aromatic |
| C5 | H51 | sing | 1.08Å | 1.10Å | |
| C6 | CL1 | sing | 1.74Å | 1.72Å | |
| O1 | C7 | sing | 1.34Å | 1.32Å | Aromatic |
| C7 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| C7 | O2 | doub | 1.22Å | 1.18Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.5° | 120.3° |
| C2 | C1 | H11 | 118.7° | 119.8° |
| C1 | C2 | C3 | 117.6° | 119.9° |
| C1 | C2 | H21 | 120.9° | 120.0° |
| C6 | C1 | H11 | 119.8° | 119.9° |
| C1 | C6 | C5 | 122.0° | 120.2° |
| C1 | C6 | CL1 | 119.4° | 119.9° |
| C3 | C2 | H21 | 121.5° | 120.1° |
| C2 | C3 | C4 | 124.6° | 119.8° |
| C2 | C3 | O1 | 128.8° | 133.0° |
| C4 | C3 | O1 | 106.6° | 107.2° |
| C3 | C4 | C5 | 120.9° | 120.0° |
| C3 | C4 | N1 | 109.3° | 106.6° |
| C3 | O1 | C7 | 106.4° | 109.2° |
| C5 | C4 | N1 | 129.8° | 133.3° |
| C4 | C5 | C6 | 113.4° | 119.9° |
| C4 | C5 | H51 | 123.4° | 120.1° |
| C4 | N1 | C7 | 106.5° | 107.5° |
| C4 | N1 | HN11 | 126.3° | 126.3° |
| C6 | C5 | H51 | 123.2° | 120.1° |
| C5 | C6 | CL1 | 118.7° | 120.0° |
| O1 | C7 | N1 | 111.3° | 109.4° |
| O1 | C7 | O2 | 122.9° | 125.3° |
| N1 | C7 | O2 | 125.8° | 125.3° |
| C7 | N1 | HN11 | 127.2° | 126.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H11 | 180.0° | 180.0° |
| C1 | C2 | C3 | H21 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C1 | C2 | C3 | O1 | 179.5° | 180.0° |
| C2 | C1 | C6 | C5 | 0.7° | 0.2° |
| C2 | C1 | C6 | CL1 | 178.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H21 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.9° | 0.4° |
| C1 | C6 | C5 | CL1 | 179.5° | 179.8° |
| C1 | C6 | C5 | H51 | 179.1° | 179.6° |
| H11 | C1 | C2 | C3 | 179.9° | 180.0° |
| H11 | C1 | C2 | H21 | 0.1° | 0.0° |
| H11 | C1 | C6 | C5 | 179.3° | 179.8° |
| H11 | C1 | C6 | CL1 | 1.2° | 0.0° |
| C2 | C3 | C4 | O1 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.2° |
| C2 | C3 | C4 | N1 | 179.8° | 180.0° |
| C2 | C3 | O1 | C7 | 179.9° | 180.0° |
| H21 | C2 | C3 | C4 | 179.3° | 180.0° |
| H21 | C2 | C3 | O1 | 0.6° | 0.0° |
| C3 | C4 | C5 | N1 | 179.7° | 179.7° |
| C3 | C4 | C5 | C6 | 0.4° | 0.4° |
| C3 | C4 | C5 | H51 | 179.6° | 179.6° |
| C4 | C3 | O1 | C7 | 0.2° | 0.0° |
| C3 | C4 | N1 | C7 | 0.3° | 0.0° |
| C3 | C4 | N1 | HN11 | 179.7° | 179.9° |
| O1 | C3 | C4 | C5 | 179.7° | 179.8° |
| O1 | C3 | C4 | N1 | 0.1° | 0.0° |
| C3 | O1 | C7 | N1 | 0.4° | 0.0° |
| C3 | O1 | C7 | O2 | 179.2° | 180.0° |
| C4 | C5 | C6 | H51 | 180.0° | 180.0° |
| C4 | C5 | C6 | CL1 | 178.6° | 179.8° |
| C5 | C4 | N1 | C7 | 179.4° | 179.8° |
| C5 | C4 | N1 | HN11 | 0.6° | 0.3° |
| N1 | C4 | C5 | C6 | 179.4° | 179.9° |
| N1 | C4 | C5 | H51 | 0.7° | 0.1° |
| C4 | N1 | C7 | O1 | 0.5° | 0.0° |
| C4 | N1 | C7 | HN11 | 180.0° | 179.9° |
| C4 | N1 | C7 | O2 | 179.1° | 180.0° |
| H51 | C5 | C6 | CL1 | 1.4° | 0.2° |
| O1 | C7 | N1 | O2 | 179.6° | 180.0° |
| O1 | C7 | N1 | HN11 | 179.5° | 179.9° |
| O2 | C7 | N1 | HN11 | 0.9° | 0.1° |
