CB6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAT | sing | 1.45Å | 1.35Å | Aromatic |
| CAK | CAS | doub | 1.32Å | 1.32Å | Aromatic |
| CAT | CAI | sing | 1.41Å | 1.41Å | Aromatic |
| CAT | CAU | doub | 1.40Å | 1.42Å | Aromatic |
| CAI | CAH | doub | 1.36Å | 1.40Å | Aromatic |
| CAH | CAR | sing | 1.39Å | 1.41Å | Aromatic |
| CAH | CAA | sing | 1.51Å | 1.54Å | |
| CAR | CAJ | doub | 1.37Å | 1.41Å | Aromatic |
| CAJ | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAU | SAO | sing | 1.76Å | 1.67Å | Aromatic |
| SAO | CAS | sing | 1.75Å | 1.68Å | Aromatic |
| CAS | CAL | sing | 1.51Å | 1.38Å | |
| CAL | OAN | sing | 1.43Å | 1.44Å | |
| OAN | CAQ | sing | 1.36Å | 1.36Å | |
| CAQ | CAG | doub | 1.30Å | 1.41Å | |
| CAQ | CAW | sing | 1.50Å | 1.52Å | |
| CAG | CAX | sing | 1.50Å | 1.41Å | |
| CAX | CAP | sing | 1.51Å | 1.53Å | |
| CAX | OAF | sing | 1.43Å | 1.45Å | |
| CAX | CAM | sing | 1.53Å | 1.55Å | |
| CAP | OAC | doub | 1.21Å | 1.24Å | |
| CAP | OAB | sing | 1.34Å | 1.25Å | |
| CAM | CAV | sing | 1.53Å | 1.55Å | |
| CAV | OAD | sing | 1.43Å | 1.43Å | |
| CAV | CAW | sing | 1.53Å | 1.53Å | |
| CAW | OAE | sing | 1.43Å | 1.43Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| OAF | HAF | sing | 0.97Å | 0.95Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| OAB | HAB | sing | 0.97Å | 0.95Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | CAK | CAS | 113.7° | 114.8° |
| CAK | CAT | CAI | 127.1° | 129.3° |
| CAK | CAT | CAU | 114.8° | 111.9° |
| CAT | CAK | HAK | 123.1° | 122.6° |
| CAK | CAS | SAO | 110.2° | 111.4° |
| CAK | CAS | CAL | 123.8° | 124.3° |
| CAS | CAK | HAK | 123.2° | 122.6° |
| CAI | CAT | CAU | 118.2° | 118.8° |
| CAT | CAI | CAH | 121.8° | 120.5° |
| CAT | CAI | HAI | 119.1° | 119.8° |
| CAT | CAU | CAJ | 120.9° | 119.8° |
| CAT | CAU | SAO | 106.0° | 109.7° |
| CAI | CAH | CAR | 119.1° | 120.6° |
| CAI | CAH | CAA | 118.1° | 119.7° |
| CAH | CAI | HAI | 119.1° | 119.8° |
| CAR | CAH | CAA | 122.8° | 119.7° |
| CAH | CAR | CAJ | 120.4° | 120.2° |
| CAH | CAR | HAR | 119.8° | 119.9° |
| CAH | CAA | HAA1 | 109.5° | 109.5° |
| CAH | CAA | HAA2 | 109.5° | 109.5° |
| CAH | CAA | HAA3 | 109.5° | 109.5° |
| CAR | CAJ | CAU | 119.7° | 120.2° |
| CAJ | CAR | HAR | 119.8° | 119.9° |
| CAR | CAJ | HAJ | 120.1° | 119.9° |
| CAJ | CAU | SAO | 133.1° | 130.5° |
| CAU | CAJ | HAJ | 120.2° | 120.0° |
| CAU | SAO | CAS | 95.4° | 92.2° |
| SAO | CAS | CAL | 126.0° | 124.3° |
| CAS | CAL | OAN | 121.5° | 109.5° |
| CAS | CAL | HAL1 | 105.6° | 109.5° |
| CAS | CAL | HAL2 | 102.8° | 109.5° |
| CAL | OAN | CAQ | 114.7° | 117.0° |
| OAN | CAL | HAL1 | 105.6° | 109.5° |
| OAN | CAL | HAL2 | 102.8° | 109.4° |
| OAN | CAQ | CAG | 123.3° | 118.0° |
| OAN | CAQ | CAW | 115.3° | 118.0° |
| CAG | CAQ | CAW | 121.5° | 124.0° |
| CAQ | CAG | CAX | 125.3° | 123.9° |
| CAQ | CAG | HAG | 117.3° | 118.0° |
| CAQ | CAW | CAV | 108.9° | 110.0° |
| CAQ | CAW | OAE | 109.2° | 109.3° |
| CAQ | CAW | HAW | 111.2° | 109.4° |
| CAG | CAX | CAP | 109.8° | 109.3° |
| CAG | CAX | OAF | 108.7° | 109.3° |
| CAG | CAX | CAM | 111.2° | 110.2° |
| CAX | CAG | HAG | 117.3° | 118.1° |
| CAP | CAX | OAF | 107.9° | 109.4° |
| CAP | CAX | CAM | 110.5° | 109.4° |
| CAX | CAP | OAC | 116.6° | 120.0° |
| CAX | CAP | OAB | 118.2° | 120.0° |
| OAF | CAX | CAM | 108.6° | 109.2° |
| CAX | OAF | HAF | 109.5° | 114.0° |
| CAX | CAM | CAV | 109.6° | 108.5° |
| CAX | CAM | HAM1 | 109.4° | 109.6° |
| CAX | CAM | HAM2 | 109.4° | 109.7° |
| OAC | CAP | OAB | 125.3° | 120.0° |
| CAP | OAB | HAB | 109.5° | 117.0° |
| CAM | CAV | OAD | 111.1° | 109.6° |
| CAM | CAV | CAW | 108.4° | 108.4° |
| CAV | CAM | HAM1 | 109.4° | 109.7° |
| CAV | CAM | HAM2 | 109.4° | 109.6° |
| CAM | CAV | HAV | 109.4° | 109.6° |
| OAD | CAV | CAW | 110.4° | 109.6° |
| OAD | CAV | HAV | 107.4° | 109.6° |
| CAV | OAD | HAD | 109.5° | 114.0° |
| CAV | CAW | OAE | 112.6° | 109.2° |
| CAV | CAW | HAW | 107.7° | 109.6° |
| CAW | CAV | HAV | 110.1° | 110.0° |
| OAE | CAW | HAW | 107.3° | 109.3° |
| CAW | OAE | HAE | 109.5° | 114.0° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.4° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAL1 | CAL | HAL2 | 119.5° | 109.4° |
| HAM1 | CAM | HAM2 | 109.6° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | CAK | CAS | HAK | 180.0° | 179.8° |
| CAK | CAT | CAI | CAU | 179.6° | 179.9° |
| CAK | CAT | CAI | CAH | 179.6° | 180.0° |
| CAK | CAT | CAU | CAJ | 179.4° | 180.0° |
| CAK | CAT | CAU | SAO | 0.7° | 0.1° |
| CAT | CAK | CAS | SAO | 0.5° | 0.1° |
| CAT | CAK | CAS | CAL | 180.0° | 180.0° |
| CAK | CAT | CAI | HAI | 0.4° | 0.1° |
| CAS | CAK | CAT | CAI | 179.8° | 180.0° |
| CAS | CAK | CAT | CAU | 0.2° | 0.1° |
| CAK | CAS | SAO | CAU | 0.8° | 0.0° |
| CAK | CAS | SAO | CAL | 179.5° | 180.0° |
| CAK | CAS | CAL | OAN | 7.6° | 90.0° |
| CAK | CAS | CAL | HAL1 | 127.6° | 149.9° |
| CAK | CAS | CAL | HAL2 | 106.4° | 30.0° |
| CAT | CAI | CAH | HAI | 180.0° | 179.9° |
| CAT | CAI | CAH | CAR | 0.2° | 0.1° |
| CAT | CAI | CAH | CAA | 179.4° | 179.9° |
| CAI | CAT | CAU | CAJ | 0.2° | 0.1° |
| CAI | CAT | CAU | SAO | 179.6° | 180.0° |
| CAI | CAT | CAK | HAK | 0.2° | 0.1° |
| CAU | CAT | CAI | CAH | 0.0° | 0.1° |
| CAT | CAU | CAJ | CAR | 0.2° | 0.1° |
| CAT | CAU | CAJ | SAO | 179.8° | 179.9° |
| CAT | CAU | SAO | CAS | 0.8° | 0.0° |
| CAU | CAT | CAK | HAK | 179.8° | 179.7° |
| CAU | CAT | CAI | HAI | 180.0° | 180.0° |
| CAT | CAU | CAJ | HAJ | 179.8° | 180.0° |
| CAI | CAH | CAR | CAA | 179.2° | 179.9° |
| CAI | CAH | CAR | CAJ | 0.2° | 0.1° |
| CAI | CAH | CAR | HAR | 179.8° | 180.0° |
| CAI | CAH | CAA | HAA1 | 151.0° | 89.9° |
| CAI | CAH | CAA | HAA2 | 31.0° | 150.0° |
| CAI | CAH | CAA | HAA3 | 89.0° | 30.0° |
| CAH | CAR | CAJ | HAR | 180.0° | 179.9° |
| CAH | CAR | CAJ | CAU | 0.0° | 0.1° |
| CAR | CAH | CAI | HAI | 179.8° | 180.0° |
| CAR | CAH | CAA | HAA1 | 29.8° | 90.0° |
| CAR | CAH | CAA | HAA2 | 149.8° | 30.0° |
| CAR | CAH | CAA | HAA3 | 90.2° | 150.1° |
| CAH | CAR | CAJ | HAJ | 180.0° | 180.0° |
| CAA | CAH | CAR | CAJ | 179.4° | 180.0° |
| CAA | CAH | CAI | HAI | 0.6° | 0.0° |
| CAA | CAH | CAR | HAR | 0.6° | 0.1° |
| CAH | CAA | HAA1 | HAA2 | 120.0° | 120.1° |
| CAH | CAA | HAA1 | HAA3 | 120.0° | 119.9° |
| CAH | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAR | CAJ | CAU | HAJ | 180.0° | 179.9° |
| CAR | CAJ | CAU | SAO | 179.6° | 180.0° |
| CAJ | CAU | SAO | CAS | 179.3° | 179.9° |
| CAU | CAJ | CAR | HAR | 180.0° | 180.0° |
| CAU | SAO | CAS | CAL | 179.7° | 180.0° |
| SAO | CAU | CAJ | HAJ | 0.4° | 0.1° |
| SAO | CAS | CAL | OAN | 171.8° | 90.0° |
| SAO | CAS | CAK | HAK | 179.5° | 179.8° |
| SAO | CAS | CAL | HAL1 | 51.8° | 30.1° |
| SAO | CAS | CAL | HAL2 | 74.2° | 150.0° |
| CAS | CAL | OAN | HAL1 | 120.0° | 120.1° |
| CAS | CAL | OAN | HAL2 | 114.0° | 120.0° |
| CAS | CAL | OAN | CAQ | 121.2° | 180.0° |
| CAL | CAS | CAK | HAK | 0.0° | 0.2° |
| CAS | CAL | HAL1 | HAL2 | 115.0° | 120.0° |
| CAL | OAN | CAQ | CAG | 33.0° | 0.1° |
| CAL | OAN | CAQ | CAW | 147.6° | 179.7° |
| OAN | CAL | HAL1 | HAL2 | 115.0° | 119.9° |
| OAN | CAQ | CAG | CAW | 179.4° | 179.7° |
| OAN | CAQ | CAG | CAX | 178.6° | 179.5° |
| OAN | CAQ | CAW | CAV | 158.9° | 162.7° |
| OAN | CAQ | CAW | OAE | 35.6° | 42.7° |
| CAQ | OAN | CAL | HAL1 | 118.8° | 59.9° |
| CAQ | OAN | CAL | HAL2 | 7.2° | 60.0° |
| OAN | CAQ | CAG | HAG | 1.4° | 0.5° |
| OAN | CAQ | CAW | HAW | 82.6° | 76.9° |
| CAQ | CAG | CAX | HAG | 180.0° | 180.0° |
| CAQ | CAG | CAX | CAP | 136.7° | 137.4° |
| CAQ | CAG | CAX | OAF | 105.5° | 102.9° |
| CAQ | CAG | CAX | CAM | 14.1° | 17.2° |
| CAG | CAQ | CAW | CAV | 20.5° | 17.6° |
| CAG | CAQ | CAW | OAE | 143.9° | 137.6° |
| CAG | CAQ | CAW | HAW | 97.9° | 102.7° |
| CAW | CAQ | CAG | CAX | 0.8° | 0.8° |
| CAQ | CAW | CAV | CAM | 52.4° | 49.9° |
| CAQ | CAW | CAV | OAD | 174.3° | 169.5° |
| CAQ | CAW | CAV | OAE | 121.2° | 120.0° |
| CAQ | CAW | CAV | HAW | 120.7° | 120.3° |
| CAQ | CAW | OAE | HAW | 120.6° | 119.7° |
| CAW | CAQ | CAG | HAG | 179.2° | 179.2° |
| CAQ | CAW | CAV | HAV | 67.2° | 69.9° |
| CAQ | CAW | OAE | HAE | 70.8° | 60.0° |
| CAG | CAX | CAP | OAF | 118.4° | 119.7° |
| CAG | CAX | CAP | CAM | 123.0° | 120.7° |
| CAG | CAX | OAF | CAM | 121.1° | 120.6° |
| CAG | CAX | CAP | OAC | 60.0° | 95.1° |
| CAG | CAX | CAP | OAB | 120.9° | 85.0° |
| CAG | CAX | CAM | CAV | 46.8° | 49.5° |
| CAG | CAX | OAF | HAF | 15.9° | 60.0° |
| CAG | CAX | CAM | HAM1 | 166.8° | 169.3° |
| CAG | CAX | CAM | HAM2 | 73.1° | 70.2° |
| CAP | CAX | OAF | CAM | 119.8° | 119.7° |
| CAX | CAP | OAC | OAB | 179.1° | 179.9° |
| CAP | CAX | CAM | CAV | 169.0° | 169.7° |
| CAP | CAX | CAG | HAG | 43.4° | 42.6° |
| CAP | CAX | OAF | HAF | 135.0° | 59.7° |
| CAP | CAX | CAM | HAM1 | 71.0° | 70.5° |
| CAP | CAX | CAM | HAM2 | 49.1° | 50.0° |
| CAX | CAP | OAB | HAB | 179.1° | 180.0° |
| OAF | CAX | CAP | OAC | 58.4° | 145.2° |
| OAF | CAX | CAP | OAB | 120.8° | 34.7° |
| OAF | CAX | CAM | CAV | 72.8° | 70.6° |
| OAF | CAX | CAG | HAG | 74.5° | 77.1° |
| OAF | CAX | CAM | HAM1 | 47.2° | 49.2° |
| OAF | CAX | CAM | HAM2 | 167.3° | 169.7° |
| CAM | CAX | CAP | OAC | 177.0° | 25.6° |
| CAM | CAX | CAP | OAB | 2.1° | 154.3° |
| CAX | CAM | CAV | HAM1 | 120.0° | 119.7° |
| CAX | CAM | CAV | HAM2 | 119.9° | 119.7° |
| CAX | CAM | CAV | OAD | 170.2° | 172.6° |
| CAX | CAM | CAV | CAW | 68.3° | 67.8° |
| CAM | CAX | CAG | HAG | 165.9° | 162.8° |
| CAM | CAX | OAF | HAF | 105.2° | 179.4° |
| CAX | CAM | HAM1 | HAM2 | 119.9° | 120.5° |
| CAX | CAM | CAV | HAV | 51.8° | 52.3° |
| OAC | CAP | OAB | HAB | 0.0° | 0.1° |
| CAM | CAV | OAD | CAW | 120.3° | 118.8° |
| CAM | CAV | OAD | HAV | 119.6° | 120.3° |
| CAM | CAV | CAW | HAV | 119.6° | 119.8° |
| CAM | CAV | CAW | OAE | 173.7° | 169.9° |
| CAM | CAV | CAW | HAW | 68.2° | 70.4° |
| CAV | CAM | HAM1 | HAM2 | 119.9° | 120.5° |
| CAM | CAV | OAD | HAD | 121.8° | 180.0° |
| OAD | CAV | CAW | HAV | 118.5° | 120.5° |
| OAD | CAV | CAW | OAE | 64.4° | 70.4° |
| OAD | CAV | CAW | HAW | 53.7° | 49.2° |
| OAD | CAV | CAM | HAM1 | 50.2° | 52.9° |
| OAD | CAV | CAM | HAM2 | 69.9° | 67.7° |
| CAV | CAW | OAE | HAW | 118.3° | 119.8° |
| CAW | CAV | CAM | HAM1 | 171.7° | 172.5° |
| CAW | CAV | CAM | HAM2 | 51.6° | 51.9° |
| CAW | CAV | OAD | HAD | 1.5° | 61.2° |
| CAV | CAW | OAE | HAE | 168.2° | 179.5° |
| OAE | CAW | CAV | HAV | 54.0° | 50.1° |
| HAR | CAR | CAJ | HAJ | 0.0° | 0.1° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 119.9° |
| HAW | CAW | CAV | HAV | 172.1° | 169.8° |
| HAW | CAW | OAE | HAE | 49.9° | 59.6° |
| HAM1 | CAM | CAV | HAV | 68.3° | 67.4° |
| HAM2 | CAM | CAV | HAV | 171.7° | 172.0° |
| HAV | CAV | OAD | HAD | 118.6° | 59.6° |
