CL6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLAY | CAX | sing | 1.73Å | 1.78Å | |
| CAX | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAX | CAW | doub | 1.34Å | 1.41Å | Aromatic |
| CAV | CAT | doub | 1.40Å | 1.38Å | Aromatic |
| CAV | HAV | sing | 1.09Å | 1.08Å | |
| CAT | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAT | HAT | sing | 1.09Å | 1.08Å | |
| CAS | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAS | HAS | sing | 1.09Å | 1.08Å | |
| CAU | CAW | sing | 1.34Å | 1.39Å | Aromatic |
| CAU | HAU | sing | 1.09Å | 1.08Å | |
| CAW | CAR | sing | 1.61Å | 1.53Å | |
| CAR | CAL | sing | 1.61Å | 1.52Å | |
| CAR | CAC | sing | 1.49Å | 1.51Å | |
| CAR | NAO | sing | 1.54Å | 1.52Å | |
| CAC | CAA | doub | 1.39Å | 1.40Å | Aromatic |
| CAC | CAE | sing | 1.40Å | 1.40Å | Aromatic |
| CAE | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.09Å | 1.08Å | |
| CAF | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.09Å | 1.08Å | |
| CAD | CAB | doub | 1.39Å | 1.40Å | Aromatic |
| CAD | HAD | sing | 1.09Å | 1.08Å | |
| CAB | CAA | sing | 1.39Å | 1.39Å | Aromatic |
| CAB | HAB | sing | 1.09Å | 1.08Å | |
| CAA | HAA | sing | 1.09Å | 1.08Å | |
| NAO | CAP | sing | 1.31Å | 1.34Å | Aromatic |
| NAO | CAM | sing | 1.31Å | 1.34Å | Aromatic |
| CAM | NAN | doub | 1.31Å | 1.34Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| NAN | CAQ | sing | 1.37Å | 1.32Å | Aromatic |
| CAQ | CAP | doub | 1.38Å | 1.33Å | Aromatic |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAL | CAK | sing | 1.34Å | 1.40Å | Aromatic |
| CAL | CAJ | doub | 1.34Å | 1.40Å | Aromatic |
| CAK | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.09Å | 1.08Å | |
| CAI | CAG | sing | 1.40Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.09Å | 1.08Å | |
| CAG | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.09Å | 1.08Å | |
| CAH | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.09Å | 1.08Å | |
| CAJ | HAJ | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLAY | CAX | CAV | 113.8° | 118.7° |
| CLAY | CAX | CAW | 123.9° | 125.4° |
| CAV | CAX | CAW | 122.3° | 115.9° |
| CAX | CAV | CAT | 120.6° | 120.0° |
| CAX | CAV | HAV | 119.7° | 120.9° |
| CAX | CAW | CAU | 116.1° | 128.3° |
| CAX | CAW | CAR | 124.7° | 117.6° |
| CAT | CAV | HAV | 119.7° | 119.1° |
| CAV | CAT | CAS | 118.1° | 120.0° |
| CAV | CAT | HAT | 120.9° | 120.0° |
| CAS | CAT | HAT | 120.9° | 120.0° |
| CAT | CAS | CAU | 121.1° | 120.0° |
| CAT | CAS | HAS | 119.5° | 120.0° |
| CAU | CAS | HAS | 119.4° | 120.0° |
| CAS | CAU | CAW | 121.8° | 115.8° |
| CAS | CAU | HAU | 119.1° | 119.4° |
| CAW | CAU | HAU | 119.1° | 124.8° |
| CAU | CAW | CAR | 119.1° | 114.1° |
| CAW | CAR | CAL | 115.3° | 98.9° |
| CAW | CAR | CAC | 102.6° | 117.0° |
| CAW | CAR | NAO | 113.2° | 109.7° |
| CAL | CAR | CAC | 114.1° | 117.0° |
| CAL | CAR | NAO | 102.3° | 109.7° |
| CAR | CAL | CAK | 122.8° | 115.7° |
| CAR | CAL | CAJ | 119.3° | 115.7° |
| CAC | CAR | NAO | 109.6° | 104.5° |
| CAR | CAC | CAA | 119.2° | 120.0° |
| CAR | CAC | CAE | 121.9° | 120.0° |
| CAR | NAO | CAP | 127.6° | 123.0° |
| CAR | NAO | CAM | 127.7° | 123.0° |
| CAA | CAC | CAE | 118.9° | 120.0° |
| CAC | CAA | CAB | 120.6° | 120.0° |
| CAC | CAA | HAA | 119.7° | 120.5° |
| CAC | CAE | CAF | 120.7° | 120.0° |
| CAC | CAE | HAE | 119.6° | 120.5° |
| CAF | CAE | HAE | 119.6° | 119.5° |
| CAE | CAF | CAD | 119.8° | 120.0° |
| CAE | CAF | HAF | 120.1° | 120.0° |
| CAD | CAF | HAF | 120.1° | 120.0° |
| CAF | CAD | CAB | 120.2° | 120.0° |
| CAF | CAD | HAD | 119.9° | 120.0° |
| CAB | CAD | HAD | 119.9° | 120.0° |
| CAD | CAB | CAA | 119.7° | 120.0° |
| CAD | CAB | HAB | 120.2° | 120.0° |
| CAA | CAB | HAB | 120.1° | 120.0° |
| CAB | CAA | HAA | 119.7° | 119.5° |
| CAP | NAO | CAM | 104.6° | 114.0° |
| NAO | CAP | CAQ | 109.8° | 101.5° |
| NAO | CAP | HAP | 125.1° | 125.9° |
| NAO | CAM | NAN | 110.5° | 108.5° |
| NAO | CAM | HAM | 124.8° | 125.7° |
| NAN | CAM | HAM | 124.8° | 125.7° |
| CAM | NAN | CAQ | 106.9° | 104.7° |
| NAN | CAQ | CAP | 108.2° | 111.2° |
| NAN | CAQ | HAQ | 125.9° | 121.3° |
| CAP | CAQ | HAQ | 125.9° | 127.5° |
| CAQ | CAP | HAP | 125.1° | 132.6° |
| CAK | CAL | CAJ | 117.9° | 128.6° |
| CAL | CAK | CAI | 120.4° | 115.7° |
| CAL | CAK | HAK | 119.8° | 124.8° |
| CAL | CAJ | CAH | 122.4° | 115.7° |
| CAL | CAJ | HAJ | 118.8° | 124.8° |
| CAI | CAK | HAK | 119.8° | 119.5° |
| CAK | CAI | CAG | 120.6° | 120.0° |
| CAK | CAI | HAI | 119.7° | 120.0° |
| CAG | CAI | HAI | 119.7° | 120.0° |
| CAI | CAG | CAH | 120.0° | 120.0° |
| CAI | CAG | HAG | 120.0° | 120.0° |
| CAH | CAG | HAG | 120.0° | 120.0° |
| CAG | CAH | CAJ | 118.8° | 120.0° |
| CAG | CAH | HAH | 120.6° | 120.0° |
| CAJ | CAH | HAH | 120.6° | 120.0° |
| CAH | CAJ | HAJ | 118.8° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLAY | CAX | CAV | CAW | 178.7° | 180.0° |
| CLAY | CAX | CAV | CAT | 179.7° | 180.0° |
| CLAY | CAX | CAV | HAV | 0.4° | 0.0° |
| CLAY | CAX | CAW | CAU | 179.4° | 180.0° |
| CLAY | CAX | CAW | CAR | 2.8° | 0.1° |
| CAX | CAV | CAT | HAV | 180.0° | 180.0° |
| CAX | CAV | CAT | CAS | 0.3° | 0.0° |
| CAX | CAV | CAT | HAT | 179.6° | 180.0° |
| CAV | CAX | CAW | CAU | 2.0° | 0.0° |
| CAV | CAX | CAW | CAR | 178.6° | 180.0° |
| CAW | CAX | CAV | CAT | 0.9° | 0.0° |
| CAW | CAX | CAV | HAV | 179.1° | 180.0° |
| CAX | CAW | CAU | CAS | 1.9° | 0.0° |
| CAX | CAW | CAU | CAR | 176.8° | 179.9° |
| CAX | CAW | CAU | HAU | 178.1° | 180.0° |
| CAX | CAW | CAR | CAL | 60.4° | 66.6° |
| CAX | CAW | CAR | CAC | 64.3° | 60.0° |
| CAX | CAW | CAR | NAO | 177.7° | 178.7° |
| CAV | CAT | CAS | HAT | 180.0° | 180.0° |
| CAV | CAT | CAS | CAU | 0.4° | 0.0° |
| CAV | CAT | CAS | HAS | 179.6° | 180.0° |
| HAV | CAV | CAT | CAS | 179.6° | 180.0° |
| HAV | CAV | CAT | HAT | 0.4° | 0.0° |
| CAT | CAS | CAU | HAS | 180.0° | 180.0° |
| CAT | CAS | CAU | CAW | 0.8° | 0.0° |
| CAT | CAS | CAU | HAU | 179.3° | 180.0° |
| HAT | CAT | CAS | CAU | 179.6° | 180.0° |
| HAT | CAT | CAS | HAS | 0.5° | 0.0° |
| CAS | CAU | CAW | HAU | 180.0° | 180.0° |
| CAS | CAU | CAW | CAR | 178.7° | 180.0° |
| HAS | CAS | CAU | CAW | 179.3° | 180.0° |
| HAS | CAS | CAU | HAU | 0.7° | 0.0° |
| CAU | CAW | CAR | CAL | 123.1° | 113.5° |
| CAU | CAW | CAR | CAC | 112.2° | 120.0° |
| CAU | CAW | CAR | NAO | 5.8° | 1.3° |
| HAU | CAU | CAW | CAR | 1.3° | 0.0° |
| CAW | CAR | CAL | CAC | 118.4° | 126.5° |
| CAW | CAR | CAL | NAO | 123.3° | 114.8° |
| CAW | CAR | CAC | NAO | 120.5° | 121.5° |
| CAW | CAR | CAC | CAA | 54.1° | 3.0° |
| CAW | CAR | CAC | CAE | 124.3° | 177.0° |
| CAW | CAR | NAO | CAP | 65.1° | 113.7° |
| CAW | CAR | NAO | CAM | 118.8° | 66.1° |
| CAW | CAR | CAL | CAK | 1.0° | 126.5° |
| CAW | CAR | CAL | CAJ | 178.6° | 53.4° |
| CAL | CAR | CAC | NAO | 114.0° | 121.5° |
| CAL | CAR | CAC | CAA | 179.6° | 120.0° |
| CAL | CAR | CAC | CAE | 1.1° | 60.0° |
| CAL | CAR | NAO | CAP | 59.6° | 6.1° |
| CAL | CAR | NAO | CAM | 116.5° | 173.8° |
| CAR | CAL | CAK | CAJ | 177.7° | 179.9° |
| CAR | CAL | CAK | CAI | 179.3° | 180.0° |
| CAR | CAL | CAK | HAK | 0.8° | 0.0° |
| CAR | CAL | CAJ | CAH | 179.3° | 180.0° |
| CAR | CAL | CAJ | HAJ | 0.7° | 0.1° |
| CAR | CAC | CAA | CAE | 178.5° | 180.0° |
| CAR | CAC | CAE | CAF | 179.0° | 179.9° |
| CAR | CAC | CAE | HAE | 1.0° | 0.0° |
| CAR | CAC | CAA | CAB | 179.1° | 180.0° |
| CAR | CAC | CAA | HAA | 0.9° | 0.0° |
| CAC | CAR | NAO | CAP | 179.0° | 120.1° |
| CAC | CAR | NAO | CAM | 4.9° | 60.1° |
| CAC | CAR | CAL | CAK | 119.4° | 0.0° |
| CAC | CAR | CAL | CAJ | 63.0° | 179.9° |
| NAO | CAR | CAC | CAA | 66.4° | 118.5° |
| NAO | CAR | CAC | CAE | 115.2° | 61.5° |
| CAR | NAO | CAP | CAM | 176.8° | 179.9° |
| CAR | NAO | CAM | NAN | 178.0° | 180.0° |
| CAR | NAO | CAM | HAM | 2.0° | 0.1° |
| CAR | NAO | CAP | CAQ | 178.2° | 180.0° |
| CAR | NAO | CAP | HAP | 1.7° | 0.2° |
| NAO | CAR | CAL | CAK | 122.4° | 118.7° |
| NAO | CAR | CAL | CAJ | 55.3° | 61.4° |
| CAA | CAC | CAE | CAF | 0.6° | 0.1° |
| CAA | CAC | CAE | HAE | 179.4° | 180.0° |
| CAC | CAA | CAB | CAD | 0.5° | 0.0° |
| CAC | CAA | CAB | HAA | 180.0° | 180.0° |
| CAC | CAA | CAB | HAB | 179.5° | 180.0° |
| CAC | CAE | CAF | HAE | 180.0° | 179.9° |
| CAC | CAE | CAF | CAD | 0.5° | 0.1° |
| CAC | CAE | CAF | HAF | 179.5° | 180.0° |
| CAE | CAC | CAA | CAB | 0.6° | 0.0° |
| CAE | CAC | CAA | HAA | 179.4° | 180.0° |
| CAE | CAF | CAD | HAF | 180.0° | 179.9° |
| CAE | CAF | CAD | CAB | 0.4° | 0.0° |
| CAE | CAF | CAD | HAD | 179.6° | 179.9° |
| HAE | CAE | CAF | CAD | 179.5° | 180.0° |
| HAE | CAE | CAF | HAF | 0.5° | 0.1° |
| CAF | CAD | CAB | HAD | 180.0° | 180.0° |
| CAF | CAD | CAB | CAA | 0.4° | 0.0° |
| CAF | CAD | CAB | HAB | 179.6° | 180.0° |
| HAF | CAF | CAD | CAB | 179.6° | 180.0° |
| HAF | CAF | CAD | HAD | 0.4° | 0.0° |
| CAD | CAB | CAA | HAB | 180.0° | 180.0° |
| CAD | CAB | CAA | HAA | 179.4° | 180.0° |
| HAD | CAD | CAB | CAA | 179.6° | 179.9° |
| HAD | CAD | CAB | HAB | 0.4° | 0.0° |
| HAB | CAB | CAA | HAA | 0.5° | 0.0° |
| CAP | NAO | CAM | NAN | 1.2° | 0.1° |
| CAP | NAO | CAM | HAM | 178.8° | 180.0° |
| NAO | CAP | CAQ | NAN | 1.2° | 0.0° |
| NAO | CAP | CAQ | HAP | 180.0° | 179.8° |
| NAO | CAP | CAQ | HAQ | 178.8° | 179.9° |
| NAO | CAM | NAN | HAM | 180.0° | 179.9° |
| NAO | CAM | NAN | CAQ | 0.5° | 0.1° |
| CAM | NAO | CAP | CAQ | 1.4° | 0.1° |
| CAM | NAO | CAP | HAP | 178.5° | 180.0° |
| CAM | NAN | CAQ | CAP | 0.4° | 0.0° |
| CAM | NAN | CAQ | HAQ | 179.6° | 180.0° |
| HAM | CAM | NAN | CAQ | 179.5° | 179.9° |
| NAN | CAQ | CAP | HAQ | 180.0° | 180.0° |
| NAN | CAQ | CAP | HAP | 178.8° | 179.9° |
| HAQ | CAQ | CAP | HAP | 1.2° | 0.1° |
| CAL | CAK | CAI | HAK | 180.0° | 179.9° |
| CAL | CAK | CAI | CAG | 0.8° | 0.0° |
| CAL | CAK | CAI | HAI | 179.2° | 180.0° |
| CAK | CAL | CAJ | CAH | 1.6° | 0.1° |
| CAK | CAL | CAJ | HAJ | 178.4° | 180.0° |
| CAJ | CAL | CAK | CAI | 1.6° | 0.0° |
| CAJ | CAL | CAK | HAK | 178.4° | 179.9° |
| CAL | CAJ | CAH | CAG | 0.7° | 0.0° |
| CAL | CAJ | CAH | HAJ | 180.0° | 180.0° |
| CAL | CAJ | CAH | HAH | 179.3° | 180.0° |
| CAK | CAI | CAG | HAI | 180.0° | 180.0° |
| CAK | CAI | CAG | CAH | 0.1° | 0.0° |
| CAK | CAI | CAG | HAG | 179.9° | 180.0° |
| HAK | CAK | CAI | CAG | 179.2° | 180.0° |
| HAK | CAK | CAI | HAI | 0.8° | 0.0° |
| CAI | CAG | CAH | HAG | 180.0° | 180.0° |
| CAI | CAG | CAH | CAJ | 0.1° | 0.0° |
| CAI | CAG | CAH | HAH | 179.9° | 180.0° |
| HAI | CAI | CAG | CAH | 179.9° | 180.0° |
| HAI | CAI | CAG | HAG | 0.1° | 0.0° |
| CAG | CAH | CAJ | HAH | 180.0° | 180.0° |
| CAG | CAH | CAJ | HAJ | 179.3° | 180.0° |
| HAG | CAG | CAH | CAJ | 179.9° | 180.0° |
| HAG | CAG | CAH | HAH | 0.1° | 0.0° |
| HAH | CAH | CAJ | HAJ | 0.7° | 0.0° |
