CWK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | CAF | sing | 1.74Å | 1.68Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C1 | O5 | sing | 1.43Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | CAA | sing | 1.36Å | 1.36Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| CAA | CAB | doub | 1.39Å | 1.39Å | Aromatic |
| CAA | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.41Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | CAD | doub | 1.39Å | 1.40Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | CAE | sing | 1.40Å | 1.38Å | Aromatic |
| CAD | CAG | sing | 1.48Å | 1.43Å | |
| CAE | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAG | CAH | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | CAL | sing | 1.40Å | 1.40Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAJ | doub | 1.40Å | 1.38Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAK | sing | 1.40Å | 1.37Å | Aromatic |
| CAJ | CAN | sing | 1.43Å | 1.45Å | |
| CAK | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAN | NAO | trip | 1.14Å | 1.15Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | CAF | CAA | 121.3° | 120.0° |
| CL | CAF | CAE | 117.0° | 120.0° |
| O1 | C1 | C2 | 105.8° | 109.5° |
| O1 | C1 | O5 | 107.1° | 109.5° |
| O1 | C1 | H1 | 111.2° | 109.5° |
| C1 | O1 | CAA | 121.7° | 117.0° |
| C2 | C1 | O5 | 111.6° | 109.4° |
| C2 | C1 | H1 | 110.3° | 109.4° |
| C1 | C2 | O2 | 105.9° | 109.6° |
| C1 | C2 | C3 | 109.2° | 109.1° |
| C1 | C2 | H2 | 110.3° | 109.5° |
| O5 | C1 | H1 | 110.8° | 109.5° |
| C1 | O5 | C5 | 113.5° | 114.1° |
| O1 | CAA | CAB | 125.9° | 119.9° |
| O1 | CAA | CAF | 113.9° | 119.9° |
| O2 | C2 | C3 | 110.6° | 109.5° |
| O2 | C2 | H2 | 111.4° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | H2 | 109.4° | 109.5° |
| C2 | C3 | O3 | 107.4° | 109.5° |
| C2 | C3 | C4 | 109.9° | 109.0° |
| C2 | C3 | H3 | 109.6° | 109.6° |
| O3 | C3 | C4 | 108.4° | 109.5° |
| O3 | C3 | H3 | 111.2° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 110.3° | 109.6° |
| C3 | C4 | O4 | 107.9° | 109.5° |
| C3 | C4 | C5 | 108.5° | 109.2° |
| C3 | C4 | H4 | 110.3° | 109.5° |
| O4 | C4 | C5 | 108.3° | 109.5° |
| O4 | C4 | H4 | 111.5° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | H4 | 110.3° | 109.6° |
| C4 | C5 | O5 | 110.2° | 109.4° |
| C4 | C5 | C6 | 113.6° | 109.5° |
| C4 | C5 | H5 | 109.3° | 109.5° |
| O5 | C5 | C6 | 104.5° | 109.4° |
| O5 | C5 | H5 | 110.2° | 109.4° |
| C6 | C5 | H5 | 108.9° | 109.5° |
| C5 | C6 | O6 | 111.2° | 109.5° |
| C5 | C6 | H61 | 109.1° | 109.4° |
| C5 | C6 | H62 | 109.0° | 109.5° |
| O6 | C6 | H61 | 109.0° | 109.4° |
| O6 | C6 | H62 | 109.1° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| CAB | CAA | CAF | 120.0° | 120.2° |
| CAA | CAB | CAC | 118.1° | 120.1° |
| CAA | CAB | HAB | 120.9° | 120.0° |
| CAA | CAF | CAE | 121.4° | 120.0° |
| CAC | CAB | HAB | 121.0° | 119.9° |
| CAB | CAC | CAD | 121.1° | 120.0° |
| CAB | CAC | HAC | 119.5° | 120.0° |
| CAD | CAC | HAC | 119.5° | 120.0° |
| CAC | CAD | CAE | 119.4° | 119.9° |
| CAC | CAD | CAG | 123.4° | 120.1° |
| CAE | CAD | CAG | 117.2° | 120.1° |
| CAD | CAE | CAF | 119.7° | 119.9° |
| CAD | CAE | HAE | 120.2° | 120.1° |
| CAD | CAG | CAH | 123.0° | 119.9° |
| CAD | CAG | CAL | 121.6° | 120.0° |
| CAF | CAE | HAE | 120.1° | 120.0° |
| CAH | CAG | CAL | 115.5° | 120.1° |
| CAG | CAH | CAI | 120.9° | 120.0° |
| CAG | CAH | HAH | 119.5° | 120.0° |
| CAG | CAL | CAK | 124.0° | 120.0° |
| CAG | CAL | HAL | 118.0° | 120.0° |
| CAI | CAH | HAH | 119.6° | 120.0° |
| CAH | CAI | CAJ | 121.7° | 120.0° |
| CAH | CAI | HAI | 119.1° | 120.0° |
| CAJ | CAI | HAI | 119.2° | 120.1° |
| CAI | CAJ | CAK | 118.9° | 120.0° |
| CAI | CAJ | CAN | 120.1° | 120.1° |
| CAK | CAJ | CAN | 120.9° | 120.0° |
| CAJ | CAK | CAL | 119.0° | 120.0° |
| CAJ | CAK | HAK | 120.5° | 120.0° |
| CAJ | CAN | NAO | 179.4° | 180.0° |
| CAL | CAK | HAK | 120.5° | 120.0° |
| CAK | CAL | HAL | 118.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | CAF | CAA | O1 | 4.3° | 0.0° |
| CL | CAF | CAA | CAB | 179.6° | 179.7° |
| CL | CAF | CAA | CAE | 173.2° | 179.7° |
| CL | CAF | CAE | CAD | 179.1° | 179.8° |
| CL | CAF | CAE | HAE | 0.9° | 0.0° |
| O1 | C1 | C2 | O5 | 116.1° | 120.0° |
| O1 | C1 | C2 | H1 | 120.3° | 120.0° |
| O1 | C1 | O5 | H1 | 121.4° | 120.0° |
| O1 | C1 | C2 | O2 | 178.3° | 177.7° |
| O1 | C1 | C2 | C3 | 62.6° | 62.3° |
| O1 | C1 | C2 | H2 | 57.6° | 57.5° |
| O1 | C1 | O5 | C5 | 58.4° | 58.9° |
| C1 | O1 | CAA | CAB | 6.6° | 0.1° |
| C1 | O1 | CAA | CAF | 177.5° | 179.7° |
| C2 | C1 | O5 | H1 | 123.3° | 119.9° |
| C2 | C1 | O1 | CAA | 179.7° | 170.0° |
| C1 | C2 | O2 | C3 | 118.2° | 119.7° |
| C1 | C2 | O2 | H2 | 119.9° | 120.2° |
| C1 | C2 | C3 | H2 | 120.7° | 119.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | O3 | 173.7° | 176.8° |
| C1 | C2 | C3 | C4 | 56.0° | 57.0° |
| C1 | C2 | C3 | H3 | 65.4° | 62.9° |
| C2 | C1 | O5 | C5 | 56.9° | 61.2° |
| O5 | C1 | O1 | CAA | 60.5° | 70.0° |
| O5 | C1 | C2 | O2 | 65.7° | 62.3° |
| O5 | C1 | C2 | C3 | 53.5° | 57.7° |
| O5 | C1 | C2 | H2 | 173.7° | 177.6° |
| C1 | O5 | C5 | C4 | 59.3° | 61.1° |
| C1 | O5 | C5 | C6 | 178.3° | 178.9° |
| C1 | O5 | C5 | H5 | 61.4° | 58.8° |
| H1 | C1 | O1 | CAA | 60.6° | 50.0° |
| H1 | C1 | C2 | O2 | 57.9° | 57.7° |
| H1 | C1 | C2 | C3 | 177.1° | 177.6° |
| H1 | C1 | C2 | H2 | 62.8° | 62.5° |
| H1 | C1 | O5 | C5 | 179.8° | 178.9° |
| O1 | CAA | CAB | CAF | 175.6° | 179.7° |
| O1 | CAA | CAB | CAC | 179.6° | 180.0° |
| O1 | CAA | CAB | HAB | 0.4° | 0.1° |
| O1 | CAA | CAF | CAE | 177.5° | 179.7° |
| O2 | C2 | C3 | H2 | 123.1° | 120.2° |
| O2 | C2 | C3 | O3 | 57.6° | 56.9° |
| O2 | C2 | C3 | C4 | 60.2° | 62.9° |
| O2 | C2 | C3 | H3 | 178.5° | 177.1° |
| C3 | C2 | O2 | HO2 | 61.8° | 179.7° |
| C2 | C3 | O3 | C4 | 118.7° | 119.5° |
| C2 | C3 | O3 | H3 | 119.9° | 120.2° |
| C2 | C3 | C4 | H3 | 120.9° | 119.9° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.1° |
| C2 | C3 | C4 | O4 | 175.7° | 176.9° |
| C2 | C3 | C4 | C5 | 58.6° | 57.0° |
| C2 | C3 | C4 | H4 | 62.3° | 63.0° |
| H2 | C2 | O2 | HO2 | 60.1° | 60.2° |
| H2 | C2 | C3 | O3 | 65.6° | 63.3° |
| H2 | C2 | C3 | C4 | 176.7° | 176.9° |
| H2 | C2 | C3 | H3 | 55.4° | 56.9° |
| O3 | C3 | C4 | H3 | 121.9° | 120.3° |
| O3 | C3 | C4 | O4 | 67.1° | 63.3° |
| O3 | C3 | C4 | C5 | 175.8° | 176.9° |
| O3 | C3 | C4 | H4 | 54.8° | 56.9° |
| C4 | C3 | O3 | HO3 | 61.3° | 179.6° |
| C3 | C4 | O4 | C5 | 117.2° | 119.7° |
| C3 | C4 | O4 | H4 | 121.2° | 120.1° |
| C3 | C4 | C5 | H4 | 120.9° | 120.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | O5 | 59.8° | 57.6° |
| C3 | C4 | C5 | C6 | 176.6° | 177.6° |
| C3 | C4 | C5 | H5 | 61.5° | 62.3° |
| H3 | C3 | O3 | HO3 | 60.1° | 60.1° |
| H3 | C3 | C4 | O4 | 54.8° | 57.0° |
| H3 | C3 | C4 | C5 | 62.3° | 62.9° |
| H3 | C3 | C4 | H4 | 176.7° | 177.1° |
| O4 | C4 | C5 | H4 | 122.3° | 120.2° |
| O4 | C4 | C5 | O5 | 176.6° | 177.5° |
| O4 | C4 | C5 | C6 | 66.6° | 62.6° |
| O4 | C4 | C5 | H5 | 55.3° | 57.5° |
| C5 | C4 | O4 | HO4 | 62.8° | 179.7° |
| C4 | C5 | O5 | C6 | 122.4° | 120.0° |
| C4 | C5 | O5 | H5 | 120.7° | 120.0° |
| C4 | C5 | C6 | H5 | 122.1° | 120.1° |
| C4 | C5 | C6 | O6 | 58.7° | 175.0° |
| C4 | C5 | C6 | H61 | 179.0° | 55.0° |
| C4 | C5 | C6 | H62 | 61.6° | 64.9° |
| H4 | C4 | O4 | HO4 | 58.8° | 60.1° |
| H4 | C4 | C5 | O5 | 61.2° | 62.3° |
| H4 | C4 | C5 | C6 | 55.6° | 57.6° |
| H4 | C4 | C5 | H5 | 177.6° | 177.7° |
| O5 | C5 | C6 | H5 | 117.8° | 120.0° |
| O5 | C5 | C6 | O6 | 61.4° | 65.1° |
| O5 | C5 | C6 | H61 | 58.9° | 175.0° |
| O5 | C5 | C6 | H62 | 178.3° | 55.0° |
| C5 | C6 | O6 | H61 | 120.3° | 119.9° |
| C5 | C6 | O6 | H62 | 120.2° | 120.1° |
| C5 | C6 | H61 | H62 | 119.2° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H5 | C5 | C6 | O6 | 179.2° | 54.9° |
| H5 | C5 | C6 | H61 | 58.9° | 65.1° |
| H5 | C5 | C6 | H62 | 60.6° | 175.0° |
| O6 | C6 | H61 | H62 | 119.2° | 120.1° |
| H61 | C6 | O6 | HO6 | 59.7° | 60.1° |
| H62 | C6 | O6 | HO6 | 59.7° | 59.9° |
| CAA | CAB | CAC | HAB | 180.0° | 179.8° |
| CAA | CAB | CAC | CAD | 1.0° | 0.1° |
| CAA | CAB | CAC | HAC | 179.0° | 179.9° |
| CAB | CAA | CAF | CAE | 6.4° | 0.6° |
| CAF | CAA | CAB | CAC | 4.0° | 0.4° |
| CAF | CAA | CAB | HAB | 176.0° | 179.8° |
| CAA | CAF | CAE | CAD | 5.6° | 0.5° |
| CAA | CAF | CAE | HAE | 174.4° | 179.7° |
| CAB | CAC | CAD | HAC | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.2° | 0.0° |
| CAB | CAC | CAD | CAG | 179.6° | 179.9° |
| HAB | CAB | CAC | CAD | 179.0° | 179.9° |
| HAB | CAB | CAC | HAC | 1.0° | 0.1° |
| CAC | CAD | CAE | CAG | 179.5° | 180.0° |
| CAC | CAD | CAE | CAF | 2.5° | 0.2° |
| CAC | CAD | CAE | HAE | 177.5° | 180.0° |
| CAC | CAD | CAG | CAH | 0.8° | 180.0° |
| CAC | CAD | CAG | CAL | 178.8° | 0.4° |
| HAC | CAC | CAD | CAE | 179.8° | 180.0° |
| HAC | CAC | CAD | CAG | 0.4° | 0.0° |
| CAD | CAE | CAF | HAE | 180.0° | 179.8° |
| CAE | CAD | CAG | CAH | 178.7° | 0.0° |
| CAE | CAD | CAG | CAL | 1.8° | 179.7° |
| CAG | CAD | CAE | CAF | 178.1° | 179.7° |
| CAG | CAD | CAE | HAE | 1.9° | 0.1° |
| CAD | CAG | CAH | CAL | 179.6° | 179.6° |
| CAD | CAG | CAH | CAI | 179.8° | 179.9° |
| CAD | CAG | CAH | HAH | 0.3° | 0.1° |
| CAD | CAG | CAL | CAK | 179.7° | 179.7° |
| CAD | CAG | CAL | HAL | 0.2° | 0.1° |
| CAG | CAH | CAI | HAH | 180.0° | 180.0° |
| CAG | CAH | CAI | CAJ | 0.3° | 0.0° |
| CAG | CAH | CAI | HAI | 179.7° | 180.0° |
| CAH | CAG | CAL | CAK | 0.7° | 0.6° |
| CAH | CAG | CAL | HAL | 179.3° | 179.7° |
| CAL | CAG | CAH | CAI | 0.7° | 0.3° |
| CAL | CAG | CAH | HAH | 179.3° | 179.7° |
| CAG | CAL | CAK | CAJ | 0.3° | 0.6° |
| CAG | CAL | CAK | HAL | 180.0° | 179.7° |
| CAG | CAL | CAK | HAK | 179.7° | 179.7° |
| CAH | CAI | CAJ | HAI | 180.0° | 180.0° |
| CAH | CAI | CAJ | CAK | 0.2° | 0.0° |
| CAH | CAI | CAJ | CAN | 179.7° | 180.0° |
| HAH | CAH | CAI | CAJ | 179.7° | 180.0° |
| HAH | CAH | CAI | HAI | 0.3° | 0.0° |
| CAI | CAJ | CAK | CAN | 179.6° | 180.0° |
| CAI | CAJ | CAK | CAL | 0.2° | 0.3° |
| CAI | CAJ | CAK | HAK | 179.8° | 180.0° |
| CAI | CAJ | CAN | NAO | 2.8° | 13.9° |
| HAI | CAI | CAJ | CAK | 179.8° | 180.0° |
| HAI | CAI | CAJ | CAN | 0.2° | 0.0° |
| CAJ | CAK | CAL | HAK | 180.0° | 179.7° |
| CAJ | CAK | CAL | HAL | 179.7° | 179.7° |
| CAK | CAJ | CAN | NAO | 177.6° | 166.0° |
| CAN | CAJ | CAK | CAL | 179.7° | 179.7° |
| CAN | CAJ | CAK | HAK | 0.3° | 0.0° |
| HAK | CAK | CAL | HAL | 0.3° | 0.0° |
