CLK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | CL1A | sing | 1.80Å | 1.72Å | |
| C1 | CL1B | sing | 1.80Å | 1.76Å | |
| C1 | C2 | sing | 1.51Å | 1.59Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C2 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| N2 | H2 | sing | 0.97Å | 1.02Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.56Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | O4 | sing | 1.43Å | 1.48Å | |
| C4 | H4C1 | sing | 1.09Å | 1.11Å | |
| C4 | H4C2 | sing | 1.09Å | 1.12Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.51Å | 1.58Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| O5 | HA | sing | 0.97Å | 0.95Å | |
| C6 | C7 | doub | 1.38Å | 1.52Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.44Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.12Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | N9 | sing | 1.40Å | 1.49Å | |
| C9 | C10 | sing | 1.39Å | 1.46Å | Aromatic |
| N9 | H9N1 | sing | 0.97Å | 1.02Å | |
| N9 | H9N2 | sing | 0.97Å | 1.02Å | |
| C10 | C11 | doub | 1.38Å | 1.43Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.12Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1A | C1 | CL1B | 106.7° | 109.4° |
| CL1A | C1 | C2 | 111.5° | 109.5° |
| CL1A | C1 | H1 | 112.0° | 109.5° |
| CL1B | C1 | C2 | 102.3° | 109.5° |
| CL1B | C1 | H1 | 111.9° | 109.5° |
| C2 | C1 | H1 | 111.9° | 109.5° |
| C1 | C2 | O2 | 120.5° | 120.0° |
| C1 | C2 | N2 | 110.4° | 120.0° |
| O2 | C2 | N2 | 129.1° | 120.1° |
| C2 | N2 | C3 | 125.1° | 119.9° |
| C2 | N2 | H2 | 117.5° | 120.1° |
| C3 | N2 | H2 | 117.4° | 120.0° |
| N2 | C3 | C4 | 111.7° | 109.5° |
| N2 | C3 | C5 | 110.9° | 109.4° |
| N2 | C3 | H3 | 106.0° | 109.4° |
| C4 | C3 | C5 | 115.4° | 109.5° |
| C4 | C3 | H3 | 106.0° | 109.5° |
| C3 | C4 | O4 | 107.1° | 109.5° |
| C3 | C4 | H4C1 | 113.1° | 109.5° |
| C3 | C4 | H4C2 | 113.1° | 109.5° |
| C5 | C3 | H3 | 106.0° | 109.4° |
| C3 | C5 | O5 | 108.4° | 109.4° |
| C3 | C5 | C6 | 116.9° | 109.5° |
| C3 | C5 | H5 | 107.3° | 109.4° |
| O4 | C4 | H4C1 | 113.1° | 109.4° |
| O4 | C4 | H4C2 | 113.1° | 109.4° |
| C4 | O4 | H4 | 107.1° | 106.8° |
| H4C1 | C4 | H4C2 | 97.4° | 109.5° |
| O5 | C5 | C6 | 109.1° | 109.5° |
| O5 | C5 | H5 | 107.3° | 109.4° |
| C5 | O5 | HA | 108.4° | 106.8° |
| C6 | C5 | H5 | 107.3° | 109.5° |
| C5 | C6 | C7 | 120.0° | 119.9° |
| C5 | C6 | C11 | 122.0° | 119.9° |
| C7 | C6 | C11 | 117.7° | 120.2° |
| C6 | C7 | C8 | 120.5° | 120.0° |
| C6 | C7 | H7 | 108.3° | 119.9° |
| C6 | C11 | C10 | 120.9° | 120.1° |
| C6 | C11 | H11 | 119.6° | 120.0° |
| C8 | C7 | H7 | 108.3° | 120.0° |
| C7 | C8 | C9 | 118.7° | 120.0° |
| C7 | C8 | H8 | 120.6° | 120.0° |
| C9 | C8 | H8 | 120.6° | 120.0° |
| C8 | C9 | N9 | 124.6° | 120.1° |
| C8 | C9 | C10 | 123.5° | 119.9° |
| N9 | C9 | C10 | 111.9° | 120.0° |
| C9 | N9 | H9N1 | 124.6° | 120.0° |
| C9 | N9 | H9N2 | 106.8° | 120.0° |
| C9 | C10 | C11 | 118.7° | 119.9° |
| C9 | C10 | H10 | 108.9° | 120.1° |
| H9N1 | N9 | H9N2 | 106.9° | 119.9° |
| C11 | C10 | H10 | 108.9° | 120.1° |
| C10 | C11 | H11 | 119.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1A | C1 | CL1B | C2 | 117.2° | 120.0° |
| CL1A | C1 | CL1B | H1 | 122.8° | 120.0° |
| CL1A | C1 | C2 | H1 | 126.3° | 120.0° |
| CL1A | C1 | C2 | O2 | 38.5° | 0.1° |
| CL1A | C1 | C2 | N2 | 143.0° | 180.0° |
| CL1B | C1 | C2 | H1 | 120.0° | 120.0° |
| CL1B | C1 | C2 | O2 | 75.2° | 120.0° |
| CL1B | C1 | C2 | N2 | 103.3° | 60.0° |
| C1 | C2 | O2 | N2 | 178.2° | 179.9° |
| C1 | C2 | N2 | C3 | 178.1° | 180.0° |
| C1 | C2 | N2 | H2 | 1.9° | 0.0° |
| H1 | C1 | C2 | O2 | 164.8° | 120.0° |
| H1 | C1 | C2 | N2 | 16.7° | 59.9° |
| O2 | C2 | N2 | C3 | 3.6° | 0.1° |
| O2 | C2 | N2 | H2 | 176.4° | 179.9° |
| C2 | N2 | C3 | H2 | 180.0° | 180.0° |
| C2 | N2 | C3 | C4 | 95.6° | 90.0° |
| C2 | N2 | C3 | C5 | 134.2° | 150.0° |
| C2 | N2 | C3 | H3 | 19.5° | 30.1° |
| N2 | C3 | C4 | C5 | 127.9° | 120.0° |
| N2 | C3 | C4 | H3 | 115.1° | 120.0° |
| N2 | C3 | C5 | H3 | 114.7° | 119.9° |
| N2 | C3 | C4 | O4 | 52.9° | 60.0° |
| N2 | C3 | C4 | H4C1 | 72.4° | 60.0° |
| N2 | C3 | C4 | H4C2 | 178.2° | 179.9° |
| N2 | C3 | C5 | O5 | 177.7° | 60.1° |
| N2 | C3 | C5 | C6 | 58.5° | 60.0° |
| N2 | C3 | C5 | H5 | 62.1° | 180.0° |
| H2 | N2 | C3 | C4 | 84.4° | 90.0° |
| H2 | N2 | C3 | C5 | 45.8° | 30.0° |
| H2 | N2 | C3 | H3 | 160.5° | 149.9° |
| C4 | C3 | C5 | H3 | 117.0° | 120.0° |
| C3 | C4 | O4 | H4C1 | 125.3° | 120.0° |
| C3 | C4 | O4 | H4C2 | 125.3° | 120.0° |
| C3 | C4 | H4C1 | H4C2 | 119.0° | 120.1° |
| C3 | C4 | O4 | H4 | 180.0° | 180.0° |
| C4 | C3 | C5 | O5 | 54.0° | 60.0° |
| C4 | C3 | C5 | C6 | 69.8° | 180.0° |
| C4 | C3 | C5 | H5 | 169.6° | 59.9° |
| C5 | C3 | C4 | O4 | 179.3° | 60.0° |
| C5 | C3 | C4 | H4C1 | 55.5° | 180.0° |
| C5 | C3 | C4 | H4C2 | 54.0° | 60.0° |
| C3 | C5 | O5 | C6 | 128.4° | 120.0° |
| C3 | C5 | O5 | H5 | 115.6° | 119.9° |
| C3 | C5 | C6 | H5 | 120.5° | 120.0° |
| C3 | C5 | O5 | HA | 180.0° | 60.0° |
| C3 | C5 | C6 | C7 | 46.5° | 90.0° |
| C3 | C5 | C6 | C11 | 139.4° | 89.9° |
| H3 | C3 | C4 | O4 | 62.2° | 180.0° |
| H3 | C3 | C4 | H4C1 | 172.5° | 60.0° |
| H3 | C3 | C4 | H4C2 | 63.0° | 60.0° |
| H3 | C3 | C5 | O5 | 63.0° | 180.0° |
| H3 | C3 | C5 | C6 | 173.2° | 59.9° |
| H3 | C3 | C5 | H5 | 52.6° | 60.1° |
| O4 | C4 | H4C1 | H4C2 | 119.0° | 120.0° |
| H4C1 | C4 | O4 | H4 | 54.8° | 60.0° |
| H4C2 | C4 | O4 | H4 | 54.7° | 60.0° |
| O5 | C5 | C6 | H5 | 116.0° | 120.0° |
| O5 | C5 | C6 | C7 | 77.0° | 150.0° |
| O5 | C5 | C6 | C11 | 97.1° | 30.0° |
| C6 | C5 | O5 | HA | 51.6° | 60.0° |
| C5 | C6 | C7 | C11 | 174.4° | 179.9° |
| C5 | C6 | C7 | C8 | 174.5° | 180.0° |
| C5 | C6 | C7 | H7 | 49.2° | 0.0° |
| C5 | C6 | C11 | C10 | 174.2° | 179.8° |
| C5 | C6 | C11 | H11 | 5.8° | 0.0° |
| H5 | C5 | O5 | HA | 64.4° | 180.0° |
| H5 | C5 | C6 | C7 | 167.0° | 30.0° |
| H5 | C5 | C6 | C11 | 18.9° | 150.0° |
| C6 | C7 | C8 | H7 | 125.2° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.0° |
| C6 | C7 | C8 | H8 | 179.8° | 180.0° |
| C7 | C6 | C11 | C10 | 0.0° | 0.3° |
| C7 | C6 | C11 | H11 | 179.9° | 180.0° |
| C11 | C6 | C7 | C8 | 0.1° | 0.0° |
| C11 | C6 | C7 | H7 | 125.2° | 179.9° |
| C6 | C11 | C10 | C9 | 0.1° | 0.5° |
| C6 | C11 | C10 | H11 | 180.0° | 179.7° |
| C6 | C11 | C10 | H10 | 125.4° | 179.9° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | N9 | 179.7° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.2° |
| H7 | C7 | C8 | C9 | 125.1° | 180.0° |
| H7 | C7 | C8 | H8 | 54.9° | 0.1° |
| C8 | C9 | N9 | C10 | 179.9° | 179.7° |
| C8 | C9 | N9 | H9N1 | 180.0° | 180.0° |
| C8 | C9 | N9 | H9N2 | 54.7° | 0.3° |
| C8 | C9 | C10 | C11 | 0.0° | 0.5° |
| C8 | C9 | C10 | H10 | 125.3° | 180.0° |
| H8 | C8 | C9 | N9 | 0.3° | 0.0° |
| H8 | C8 | C9 | C10 | 179.9° | 179.7° |
| C9 | N9 | H9N1 | H9N2 | 125.2° | 179.7° |
| N9 | C9 | C10 | C11 | 179.9° | 179.8° |
| N9 | C9 | C10 | H10 | 54.8° | 0.2° |
| C10 | C9 | N9 | H9N1 | 0.1° | 0.2° |
| C10 | C9 | N9 | H9N2 | 125.1° | 179.4° |
| C9 | C10 | C11 | H10 | 125.3° | 179.5° |
| C9 | C10 | C11 | H11 | 179.9° | 179.7° |
| H10 | C10 | C11 | H11 | 54.6° | 0.2° |
