6UI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAW | OAV | sing | 1.43Å | 1.41Å | |
| OAV | CAS | sing | 1.36Å | 1.36Å | |
| CAS | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CAT | doub | 1.40Å | 1.38Å | Aromatic |
| CAR | CAO | doub | 1.40Å | 1.39Å | Aromatic |
| CAT | CAU | sing | 1.36Å | 1.37Å | Aromatic |
| CAU | CAP | doub | 1.41Å | 1.38Å | Aromatic |
| CAP | CAQ | sing | 1.40Å | 1.38Å | Aromatic |
| CAP | CAO | sing | 1.42Å | 1.40Å | Aromatic |
| CAQ | CAL | doub | 1.38Å | 1.38Å | Aromatic |
| CAO | CAN | sing | 1.41Å | 1.39Å | Aromatic |
| CAN | CAM | doub | 1.36Å | 1.39Å | Aromatic |
| CAM | CAL | sing | 1.41Å | 1.41Å | Aromatic |
| CAL | CAK | sing | 1.48Å | 1.35Å | |
| CAK | NAJ | sing | 1.35Å | 1.34Å | Aromatic |
| CAK | CAG | doub | 1.38Å | 1.37Å | Aromatic |
| NAJ | CAI | doub | 1.30Å | 1.33Å | Aromatic |
| CAI | NAH | sing | 1.35Å | 1.33Å | Aromatic |
| NAH | CAG | sing | 1.38Å | 1.33Å | Aromatic |
| CAG | CAF | sing | 1.48Å | 1.35Å | |
| CAF | CAA | doub | 1.40Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | NAC | doub | 1.32Å | 1.40Å | Aromatic |
| NAC | CAD | sing | 1.32Å | 1.40Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.38Å | Aromatic |
| CAW | HAW1 | sing | 1.09Å | 1.10Å | |
| CAW | HAW2 | sing | 1.09Å | 1.10Å | |
| CAW | HAW3 | sing | 1.09Å | 1.10Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| NAH | HAH | sing | 0.97Å | 1.00Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAW | OAV | CAS | 120.0° | 117.0° |
| OAV | CAW | HAW1 | 109.5° | 109.4° |
| OAV | CAW | HAW2 | 109.5° | 109.4° |
| OAV | CAW | HAW3 | 109.4° | 109.5° |
| OAV | CAS | CAR | 125.0° | 119.6° |
| OAV | CAS | CAT | 115.9° | 119.7° |
| CAR | CAS | CAT | 119.1° | 120.8° |
| CAS | CAR | CAO | 120.3° | 119.6° |
| CAS | CAR | HAR | 119.9° | 120.2° |
| CAS | CAT | CAU | 121.0° | 120.9° |
| CAS | CAT | HAT | 119.5° | 119.6° |
| CAR | CAO | CAP | 119.5° | 119.4° |
| CAR | CAO | CAN | 121.1° | 121.0° |
| CAO | CAR | HAR | 119.8° | 120.2° |
| CAT | CAU | CAP | 120.3° | 119.9° |
| CAU | CAT | HAT | 119.5° | 119.5° |
| CAT | CAU | HAU | 119.8° | 120.1° |
| CAU | CAP | CAQ | 119.4° | 121.0° |
| CAU | CAP | CAO | 119.7° | 119.5° |
| CAP | CAU | HAU | 119.9° | 120.0° |
| CAQ | CAP | CAO | 120.9° | 119.4° |
| CAP | CAQ | CAL | 120.6° | 119.5° |
| CAP | CAQ | HAQ | 119.7° | 120.2° |
| CAP | CAO | CAN | 119.4° | 119.7° |
| CAQ | CAL | CAM | 118.8° | 120.6° |
| CAQ | CAL | CAK | 122.9° | 119.7° |
| CAL | CAQ | HAQ | 119.7° | 120.3° |
| CAO | CAN | CAM | 119.2° | 120.0° |
| CAO | CAN | HAN | 120.4° | 120.0° |
| CAN | CAM | CAL | 121.1° | 120.8° |
| CAM | CAN | HAN | 120.4° | 120.0° |
| CAN | CAM | HAM | 119.5° | 119.5° |
| CAM | CAL | CAK | 118.2° | 119.7° |
| CAL | CAM | HAM | 119.4° | 119.6° |
| CAL | CAK | NAJ | 120.4° | 126.3° |
| CAL | CAK | CAG | 130.8° | 126.3° |
| NAJ | CAK | CAG | 108.7° | 107.4° |
| CAK | NAJ | CAI | 106.1° | 109.5° |
| CAK | CAG | NAH | 107.0° | 106.2° |
| CAK | CAG | CAF | 133.1° | 126.9° |
| NAJ | CAI | NAH | 110.8° | 109.6° |
| NAJ | CAI | HAI | 124.6° | 125.2° |
| CAI | NAH | CAG | 107.4° | 107.3° |
| NAH | CAI | HAI | 124.6° | 125.2° |
| CAI | NAH | HAH | 126.3° | 126.3° |
| NAH | CAG | CAF | 119.8° | 126.9° |
| CAG | NAH | HAH | 126.3° | 126.3° |
| CAG | CAF | CAA | 121.1° | 120.9° |
| CAG | CAF | CAE | 121.3° | 121.0° |
| CAA | CAF | CAE | 117.4° | 118.1° |
| CAF | CAA | CAB | 121.6° | 119.0° |
| CAF | CAA | HAA | 119.2° | 120.5° |
| CAF | CAE | CAD | 121.9° | 119.0° |
| CAF | CAE | HAE | 119.1° | 120.5° |
| CAA | CAB | NAC | 119.8° | 120.9° |
| CAB | CAA | HAA | 119.2° | 120.5° |
| CAA | CAB | HAB | 120.1° | 119.6° |
| CAB | NAC | CAD | 118.6° | 122.1° |
| NAC | CAB | HAB | 120.1° | 119.6° |
| NAC | CAD | CAE | 120.6° | 120.9° |
| NAC | CAD | HAD | 119.7° | 119.6° |
| CAD | CAE | HAE | 119.0° | 120.5° |
| CAE | CAD | HAD | 119.7° | 119.5° |
| HAW1 | CAW | HAW2 | 109.5° | 109.5° |
| HAW1 | CAW | HAW3 | 109.5° | 109.5° |
| HAW2 | CAW | HAW3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAW | OAV | CAS | CAR | 14.0° | 180.0° |
| CAW | OAV | CAS | CAT | 167.6° | 0.3° |
| OAV | CAW | HAW1 | HAW2 | 120.0° | 119.9° |
| OAV | CAW | HAW1 | HAW3 | 120.0° | 120.0° |
| OAV | CAW | HAW2 | HAW3 | 120.0° | 120.0° |
| OAV | CAS | CAR | CAT | 178.3° | 179.7° |
| OAV | CAS | CAR | CAO | 179.9° | 179.9° |
| OAV | CAS | CAT | CAU | 179.2° | 180.0° |
| CAS | OAV | CAW | HAW1 | 180.0° | 60.1° |
| CAS | OAV | CAW | HAW2 | 60.0° | 180.0° |
| CAS | OAV | CAW | HAW3 | 60.0° | 60.0° |
| OAV | CAS | CAR | HAR | 0.1° | 0.1° |
| OAV | CAS | CAT | HAT | 0.9° | 0.0° |
| CAS | CAR | CAO | HAR | 180.0° | 180.0° |
| CAR | CAS | CAT | CAU | 2.4° | 0.3° |
| CAS | CAR | CAO | CAP | 0.0° | 0.0° |
| CAS | CAR | CAO | CAN | 179.6° | 180.0° |
| CAR | CAS | CAT | HAT | 177.6° | 179.7° |
| CAT | CAS | CAR | CAO | 1.6° | 0.3° |
| CAS | CAT | CAU | HAT | 180.0° | 180.0° |
| CAS | CAT | CAU | CAP | 1.6° | 0.0° |
| CAT | CAS | CAR | HAR | 178.4° | 179.8° |
| CAS | CAT | CAU | HAU | 178.4° | 179.9° |
| CAR | CAO | CAP | CAU | 0.8° | 0.2° |
| CAR | CAO | CAP | CAQ | 179.9° | 179.9° |
| CAR | CAO | CAP | CAN | 179.6° | 180.0° |
| CAR | CAO | CAN | CAM | 179.5° | 180.0° |
| CAR | CAO | CAN | HAN | 0.4° | 0.0° |
| CAT | CAU | CAP | HAU | 180.0° | 179.9° |
| CAT | CAU | CAP | CAQ | 179.4° | 179.9° |
| CAT | CAU | CAP | CAO | 0.0° | 0.2° |
| CAU | CAP | CAQ | CAO | 179.3° | 179.7° |
| CAU | CAP | CAQ | CAL | 179.8° | 180.0° |
| CAU | CAP | CAO | CAN | 179.6° | 179.8° |
| CAP | CAU | CAT | HAT | 178.4° | 180.0° |
| CAU | CAP | CAQ | HAQ | 0.2° | 0.0° |
| CAP | CAQ | CAL | HAQ | 180.0° | 180.0° |
| CAQ | CAP | CAO | CAN | 0.3° | 0.1° |
| CAP | CAQ | CAL | CAM | 1.1° | 0.5° |
| CAP | CAQ | CAL | CAK | 178.5° | 180.0° |
| CAQ | CAP | CAU | HAU | 0.6° | 0.0° |
| CAO | CAP | CAQ | CAL | 0.9° | 0.3° |
| CAP | CAO | CAN | CAM | 0.1° | 0.0° |
| CAP | CAO | CAR | HAR | 179.9° | 180.0° |
| CAO | CAP | CAU | HAU | 180.0° | 179.7° |
| CAO | CAP | CAQ | HAQ | 179.1° | 179.7° |
| CAP | CAO | CAN | HAN | 179.9° | 180.0° |
| CAQ | CAL | CAM | CAN | 0.7° | 0.4° |
| CAQ | CAL | CAM | CAK | 179.6° | 179.5° |
| CAQ | CAL | CAK | NAJ | 127.5° | 34.9° |
| CAQ | CAL | CAK | CAG | 56.7° | 144.7° |
| CAQ | CAL | CAM | HAM | 179.3° | 179.7° |
| CAO | CAN | CAM | HAN | 180.0° | 180.0° |
| CAO | CAN | CAM | CAL | 0.2° | 0.2° |
| CAN | CAO | CAR | HAR | 0.5° | 0.0° |
| CAO | CAN | CAM | HAM | 179.9° | 180.0° |
| CAN | CAM | CAL | HAM | 180.0° | 179.8° |
| CAN | CAM | CAL | CAK | 178.9° | 179.9° |
| CAM | CAL | CAK | NAJ | 52.9° | 144.6° |
| CAM | CAL | CAK | CAG | 122.9° | 35.8° |
| CAM | CAL | CAQ | HAQ | 178.9° | 179.6° |
| CAL | CAM | CAN | HAN | 179.8° | 179.8° |
| CAL | CAK | NAJ | CAG | 176.6° | 179.7° |
| CAL | CAK | NAJ | CAI | 176.8° | 180.0° |
| CAL | CAK | CAG | NAH | 176.3° | 179.9° |
| CAL | CAK | CAG | CAF | 0.6° | 0.0° |
| CAK | CAL | CAQ | HAQ | 1.5° | 0.0° |
| CAK | CAL | CAM | HAM | 1.1° | 0.2° |
| CAK | NAJ | CAI | NAH | 0.0° | 0.0° |
| NAJ | CAK | CAG | NAH | 0.2° | 0.4° |
| NAJ | CAK | CAG | CAF | 176.7° | 179.7° |
| CAK | NAJ | CAI | HAI | 180.0° | 180.0° |
| CAG | CAK | NAJ | CAI | 0.1° | 0.3° |
| CAK | CAG | NAH | CAI | 0.1° | 0.4° |
| CAK | CAG | NAH | CAF | 177.4° | 179.8° |
| CAK | CAG | CAF | CAA | 160.7° | 134.9° |
| CAK | CAG | CAF | CAE | 24.5° | 45.3° |
| CAK | CAG | NAH | HAH | 179.9° | 179.9° |
| NAJ | CAI | NAH | HAI | 180.0° | 180.0° |
| NAJ | CAI | NAH | CAG | 0.1° | 0.3° |
| NAJ | CAI | NAH | HAH | 180.0° | 179.9° |
| CAI | NAH | CAG | HAH | 180.0° | 179.7° |
| CAI | NAH | CAG | CAF | 177.3° | 179.7° |
| NAH | CAG | CAF | CAA | 22.8° | 44.9° |
| NAH | CAG | CAF | CAE | 152.1° | 134.9° |
| CAG | NAH | CAI | HAI | 179.9° | 179.8° |
| CAG | CAF | CAA | CAE | 175.0° | 179.8° |
| CAG | CAF | CAA | CAB | 178.4° | 180.0° |
| CAG | CAF | CAE | CAD | 178.8° | 179.8° |
| CAF | CAG | NAH | HAH | 2.7° | 0.1° |
| CAG | CAF | CAA | HAA | 1.6° | 0.1° |
| CAG | CAF | CAE | HAE | 1.1° | 0.0° |
| CAF | CAA | CAB | HAA | 180.0° | 179.9° |
| CAF | CAA | CAB | NAC | 2.3° | 0.0° |
| CAA | CAF | CAE | CAD | 3.8° | 0.5° |
| CAA | CAF | CAE | HAE | 176.2° | 179.8° |
| CAF | CAA | CAB | HAB | 177.7° | 180.0° |
| CAE | CAF | CAA | CAB | 3.4° | 0.2° |
| CAF | CAE | CAD | NAC | 3.2° | 0.6° |
| CAF | CAE | CAD | HAE | 180.0° | 179.8° |
| CAE | CAF | CAA | HAA | 176.6° | 179.7° |
| CAF | CAE | CAD | HAD | 176.8° | 179.8° |
| CAA | CAB | NAC | HAB | 180.0° | 180.0° |
| CAA | CAB | NAC | CAD | 1.5° | 0.1° |
| CAB | NAC | CAD | CAE | 1.9° | 0.4° |
| NAC | CAB | CAA | HAA | 177.7° | 179.9° |
| CAB | NAC | CAD | HAD | 178.1° | 180.0° |
| NAC | CAD | CAE | HAD | 180.0° | 179.7° |
| NAC | CAD | CAE | HAE | 176.8° | 179.7° |
| CAD | NAC | CAB | HAB | 178.5° | 179.9° |
| HAW1 | CAW | HAW2 | HAW3 | 120.0° | 120.1° |
| HAT | CAT | CAU | HAU | 1.6° | 0.1° |
| HAN | CAN | CAM | HAM | 0.1° | 0.0° |
| HAI | CAI | NAH | HAH | 0.0° | 0.1° |
| HAA | CAA | CAB | HAB | 2.3° | 0.1° |
| HAE | CAE | CAD | HAD | 3.2° | 0.0° |
