Q0K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAL | sing | 1.51Å | 1.44Å | |
| NAB | CAM | sing | 1.37Å | 1.30Å | |
| OAC | CAP | doub | 1.22Å | 1.27Å | |
| CAD | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAD | CAL | sing | 1.38Å | 1.38Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.41Å | Aromatic |
| CAE | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAN | doub | 1.39Å | 1.41Å | Aromatic |
| CAH | NAJ | sing | 1.37Å | 1.36Å | Aromatic |
| CAH | CAO | doub | 1.36Å | 1.34Å | Aromatic |
| NAI | CAM | doub | 1.31Å | 1.33Å | |
| NAI | CAQ | sing | 1.34Å | 1.37Å | |
| NAJ | CAQ | sing | 1.37Å | 1.32Å | Aromatic |
| NAK | CAM | sing | 1.36Å | 1.41Å | |
| NAK | CAP | sing | 1.35Å | 1.37Å | |
| CAN | CAO | sing | 1.48Å | 1.40Å | |
| CAO | CAR | sing | 1.47Å | 1.38Å | Aromatic |
| CAP | CAR | sing | 1.41Å | 1.38Å | |
| CAQ | CAR | doub | 1.40Å | 1.41Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| NAB | HNAB | sing | 0.97Å | 1.00Å | |
| NAB | HNAA | sing | 0.97Å | 1.00Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAJ | HNAJ | sing | 0.97Å | 1.00Å | |
| NAK | HNAK | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAL | CAD | 120.3° | 119.9° |
| CAA | CAL | CAE | 121.9° | 119.9° |
| CAL | CAA | HAA | 109.5° | 109.4° |
| CAL | CAA | HAAA | 109.5° | 109.4° |
| CAL | CAA | HAAB | 109.5° | 109.4° |
| NAB | CAM | NAI | 122.0° | 119.0° |
| NAB | CAM | NAK | 119.5° | 118.9° |
| CAM | NAB | HNAB | 120.0° | 120.0° |
| CAM | NAB | HNAA | 120.0° | 120.0° |
| OAC | CAP | NAK | 113.8° | 120.9° |
| OAC | CAP | CAR | 127.4° | 120.9° |
| CAF | CAD | CAL | 120.6° | 120.1° |
| CAD | CAF | CAN | 123.7° | 119.9° |
| CAF | CAD | HAD | 119.7° | 120.0° |
| CAD | CAF | HAF | 118.1° | 120.1° |
| CAD | CAL | CAE | 117.8° | 120.3° |
| CAL | CAD | HAD | 119.7° | 119.9° |
| CAG | CAE | CAL | 121.0° | 120.1° |
| CAE | CAG | CAN | 122.5° | 119.8° |
| CAG | CAE | HAE | 119.5° | 119.9° |
| CAE | CAG | HAG | 118.7° | 120.0° |
| CAL | CAE | HAE | 119.5° | 120.0° |
| CAF | CAN | CAG | 114.3° | 119.8° |
| CAF | CAN | CAO | 123.0° | 120.2° |
| CAN | CAF | HAF | 118.1° | 120.0° |
| CAG | CAN | CAO | 122.0° | 120.1° |
| CAN | CAG | HAG | 118.8° | 120.1° |
| NAJ | CAH | CAO | 110.1° | 109.5° |
| CAH | NAJ | CAQ | 108.3° | 110.4° |
| NAJ | CAH | HAH | 125.0° | 125.3° |
| CAH | NAJ | HNAJ | 125.9° | 124.9° |
| CAH | CAO | CAN | 120.0° | 126.8° |
| CAH | CAO | CAR | 106.6° | 106.4° |
| CAO | CAH | HAH | 124.9° | 125.2° |
| CAM | NAI | CAQ | 118.7° | 121.2° |
| NAI | CAM | NAK | 118.5° | 122.1° |
| NAI | CAQ | NAJ | 127.1° | 133.4° |
| NAI | CAQ | CAR | 124.5° | 119.1° |
| NAJ | CAQ | CAR | 108.4° | 107.5° |
| CAQ | NAJ | HNAJ | 125.8° | 124.8° |
| CAM | NAK | CAP | 123.1° | 120.1° |
| CAM | NAK | HNAK | 118.4° | 120.0° |
| NAK | CAP | CAR | 118.8° | 118.2° |
| CAP | NAK | HNAK | 118.4° | 119.9° |
| CAN | CAO | CAR | 132.8° | 126.8° |
| CAO | CAR | CAP | 137.2° | 134.5° |
| CAO | CAR | CAQ | 106.5° | 106.3° |
| CAP | CAR | CAQ | 116.2° | 119.2° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.4° | 109.5° |
| HNAB | NAB | HNAA | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAL | CAD | CAF | 179.5° | 180.0° |
| CAA | CAL | CAD | CAE | 178.8° | 180.0° |
| CAA | CAL | CAE | CAG | 179.5° | 180.0° |
| CAL | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAL | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAL | CAA | HAAA | HAAB | 120.0° | 119.9° |
| CAA | CAL | CAD | HAD | 0.5° | 0.3° |
| CAA | CAL | CAE | HAE | 0.5° | 0.1° |
| NAB | CAM | NAI | NAK | 179.7° | 180.0° |
| NAB | CAM | NAI | CAQ | 179.8° | 180.0° |
| NAB | CAM | NAK | CAP | 177.5° | 180.0° |
| CAM | NAB | HNAB | HNAA | 180.0° | 180.0° |
| NAB | CAM | NAK | HNAK | 2.5° | 0.0° |
| OAC | CAP | NAK | CAM | 178.5° | 180.0° |
| OAC | CAP | NAK | CAR | 179.5° | 180.0° |
| OAC | CAP | CAR | CAO | 2.8° | 0.0° |
| OAC | CAP | CAR | CAQ | 178.6° | 180.0° |
| OAC | CAP | NAK | HNAK | 1.5° | 0.1° |
| CAF | CAD | CAL | HAD | 180.0° | 179.7° |
| CAF | CAD | CAL | CAE | 1.7° | 0.0° |
| CAD | CAF | CAN | HAF | 180.0° | 179.9° |
| CAD | CAF | CAN | CAG | 3.9° | 0.0° |
| CAD | CAF | CAN | CAO | 174.4° | 179.9° |
| CAD | CAL | CAE | CAG | 1.7° | 0.0° |
| CAL | CAD | CAF | CAN | 1.3° | 0.0° |
| CAD | CAL | CAA | HAA | 90.6° | 90.0° |
| CAD | CAL | CAA | HAAA | 149.4° | 150.0° |
| CAD | CAL | CAA | HAAB | 29.4° | 30.0° |
| CAD | CAL | CAE | HAE | 178.3° | 179.9° |
| CAL | CAD | CAF | HAF | 178.7° | 179.9° |
| CAG | CAE | CAL | HAE | 180.0° | 180.0° |
| CAE | CAG | CAN | CAF | 3.9° | 0.0° |
| CAE | CAG | CAN | HAG | 180.0° | 179.9° |
| CAE | CAG | CAN | CAO | 174.5° | 180.0° |
| CAL | CAE | CAG | CAN | 1.3° | 0.0° |
| CAE | CAL | CAA | HAA | 90.7° | 90.0° |
| CAE | CAL | CAA | HAAA | 29.4° | 30.0° |
| CAE | CAL | CAA | HAAB | 149.4° | 150.0° |
| CAE | CAL | CAD | HAD | 178.3° | 179.7° |
| CAL | CAE | CAG | HAG | 178.8° | 179.9° |
| CAF | CAN | CAG | CAO | 170.6° | 180.0° |
| CAF | CAN | CAO | CAH | 23.9° | 50.0° |
| CAF | CAN | CAO | CAR | 166.3° | 130.0° |
| CAN | CAF | CAD | HAD | 178.8° | 179.7° |
| CAF | CAN | CAG | HAG | 176.1° | 179.9° |
| CAG | CAN | CAO | CAH | 145.9° | 130.0° |
| CAG | CAN | CAO | CAR | 24.0° | 50.1° |
| CAN | CAG | CAE | HAE | 178.7° | 179.9° |
| CAG | CAN | CAF | HAF | 176.1° | 179.9° |
| NAJ | CAH | CAO | HAH | 180.0° | 179.7° |
| CAH | NAJ | CAQ | NAI | 177.7° | 180.0° |
| CAH | NAJ | CAQ | HNAJ | 180.0° | 180.0° |
| NAJ | CAH | CAO | CAN | 175.9° | 180.0° |
| NAJ | CAH | CAO | CAR | 3.6° | 0.0° |
| CAH | NAJ | CAQ | CAR | 0.5° | 0.0° |
| CAO | CAH | NAJ | CAQ | 2.6° | 0.0° |
| CAH | CAO | CAN | CAR | 169.9° | 179.9° |
| CAH | CAO | CAR | CAP | 179.2° | 180.0° |
| CAH | CAO | CAR | CAQ | 3.2° | 0.0° |
| CAO | CAH | NAJ | HNAJ | 177.4° | 180.0° |
| CAM | NAI | CAQ | NAJ | 179.7° | 180.0° |
| NAI | CAM | NAK | CAP | 2.8° | 0.0° |
| CAM | NAI | CAQ | CAR | 2.4° | 0.0° |
| NAI | CAM | NAB | HNAB | 0.0° | 0.0° |
| NAI | CAM | NAB | HNAA | 180.0° | 180.0° |
| NAI | CAM | NAK | HNAK | 177.2° | 180.0° |
| NAI | CAQ | NAJ | CAR | 178.2° | 180.0° |
| CAQ | NAI | CAM | NAK | 0.6° | 0.0° |
| NAI | CAQ | CAR | CAO | 179.9° | 180.0° |
| NAI | CAQ | CAR | CAP | 3.1° | 0.0° |
| NAI | CAQ | NAJ | HNAJ | 2.3° | 0.1° |
| NAJ | CAQ | CAR | CAO | 1.7° | 0.0° |
| NAJ | CAQ | CAR | CAP | 178.6° | 180.0° |
| CAQ | NAJ | CAH | HAH | 177.4° | 179.7° |
| CAM | NAK | CAP | HNAK | 180.0° | 180.0° |
| CAM | NAK | CAP | CAR | 2.0° | 0.0° |
| NAK | CAM | NAB | HNAB | 179.7° | 180.0° |
| NAK | CAM | NAB | HNAA | 0.3° | 0.0° |
| NAK | CAP | CAR | CAO | 176.6° | 180.0° |
| NAK | CAP | CAR | CAQ | 0.9° | 0.0° |
| CAN | CAO | CAR | CAP | 10.0° | 0.0° |
| CAN | CAO | CAR | CAQ | 174.0° | 180.0° |
| CAO | CAN | CAF | HAF | 5.6° | 0.0° |
| CAO | CAN | CAG | HAG | 5.5° | 0.1° |
| CAN | CAO | CAH | HAH | 4.1° | 0.2° |
| CAO | CAR | CAP | CAQ | 175.7° | 180.0° |
| CAR | CAO | CAH | HAH | 176.4° | 179.7° |
| CAR | CAP | NAK | HNAK | 178.0° | 180.0° |
| CAR | CAQ | NAJ | HNAJ | 179.5° | 180.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.1° |
| HAD | CAD | CAF | HAF | 1.3° | 0.3° |
| HAE | CAE | CAG | HAG | 1.2° | 0.0° |
| HAH | CAH | NAJ | HNAJ | 2.6° | 0.3° |
