Q80
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLBF | CAB | sing | 1.74Å | 1.80Å | |
| CAC | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAA | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAE | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | CAG | sing | 1.51Å | 1.51Å | |
| CAG | CAH | sing | 1.53Å | 1.52Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAH | CAI | sing | 1.53Å | 1.53Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| OAP | CAI | sing | 1.44Å | 1.43Å | |
| CAI | OAS | sing | 1.43Å | 1.43Å | |
| CAI | CAJ | sing | 1.53Å | 1.52Å | |
| OAP | CAQ | sing | 1.45Å | 1.43Å | |
| CAJ | NAK | sing | 1.46Å | 1.48Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| NAK | CAO | sing | 1.35Å | 1.44Å | Aromatic |
| NAK | CAL | sing | 1.37Å | 1.45Å | Aromatic |
| CAO | NAN | doub | 1.31Å | 1.35Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| NAN | CAM | sing | 1.34Å | 1.35Å | Aromatic |
| CAL | CAM | doub | 1.35Å | 1.38Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| OAS | CAR | sing | 1.44Å | 1.43Å | |
| CAQ | CAR | sing | 1.55Å | 1.52Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAT | CAQ | sing | 1.53Å | 1.52Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAT | SAU | sing | 1.81Å | 1.77Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAT | HATA | sing | 1.09Å | 1.10Å | |
| CAV | SAU | sing | 1.76Å | 1.69Å | |
| NAW | CAV | doub | 1.32Å | 1.35Å | Aromatic |
| CAV | CBA | sing | 1.39Å | 1.39Å | Aromatic |
| CAZ | CBA | doub | 1.38Å | 1.39Å | Aromatic |
| CBA | HBA | sing | 1.08Å | 1.08Å | |
| CAX | NAW | sing | 1.32Å | 1.34Å | Aromatic |
| CAX | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| CBB | CAY | sing | 1.51Å | 1.49Å | |
| CAY | CAZ | sing | 1.39Å | 1.39Å | Aromatic |
| CAZ | HAZ | sing | 1.08Å | 1.08Å | |
| FBE | CBB | sing | 1.40Å | 1.31Å | |
| FBD | CBB | sing | 1.40Å | 1.32Å | |
| CBB | FBC | sing | 1.40Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLBF | CAB | CAC | 119.3° | 120.0° |
| CLBF | CAB | CAA | 121.0° | 120.0° |
| CAC | CAB | CAA | 119.7° | 120.0° |
| CAB | CAC | CAD | 119.9° | 120.0° |
| CAB | CAC | HAC | 120.0° | 120.1° |
| CAB | CAA | CAF | 120.4° | 120.0° |
| CAB | CAA | HAA | 119.8° | 120.0° |
| CAD | CAC | HAC | 120.0° | 120.0° |
| CAC | CAD | CAE | 120.2° | 120.0° |
| CAC | CAD | HAD | 119.9° | 120.0° |
| CAE | CAD | HAD | 119.9° | 120.0° |
| CAD | CAE | CAF | 120.4° | 120.0° |
| CAD | CAE | CAG | 118.8° | 119.9° |
| CAF | CAA | HAA | 119.8° | 120.0° |
| CAA | CAF | CAE | 119.3° | 120.0° |
| CAA | CAF | HAF | 120.4° | 120.0° |
| CAE | CAF | HAF | 120.4° | 120.0° |
| CAF | CAE | CAG | 120.8° | 120.0° |
| CAE | CAG | CAH | 106.8° | 109.5° |
| CAE | CAG | HAG | 110.4° | 109.4° |
| CAE | CAG | HAGA | 110.9° | 109.5° |
| CAH | CAG | HAG | 110.4° | 109.5° |
| CAH | CAG | HAGA | 111.0° | 109.5° |
| CAG | CAH | CAI | 110.6° | 109.5° |
| CAG | CAH | HAH | 109.1° | 109.5° |
| CAG | CAH | HAHA | 108.9° | 109.5° |
| HAG | CAG | HAGA | 107.4° | 109.5° |
| CAI | CAH | HAH | 109.1° | 109.5° |
| CAI | CAH | HAHA | 108.9° | 109.5° |
| CAH | CAI | OAP | 112.2° | 109.6° |
| CAH | CAI | OAS | 108.9° | 109.6° |
| CAH | CAI | CAJ | 110.4° | 109.6° |
| HAH | CAH | HAHA | 110.3° | 109.4° |
| OAP | CAI | OAS | 106.3° | 108.8° |
| OAP | CAI | CAJ | 108.6° | 109.5° |
| CAI | OAP | CAQ | 106.1° | 104.8° |
| OAS | CAI | CAJ | 110.5° | 109.7° |
| CAI | OAS | CAR | 108.7° | 107.3° |
| CAI | CAJ | NAK | 112.4° | 109.4° |
| CAI | CAJ | HAJ | 108.5° | 109.5° |
| CAI | CAJ | HAJA | 107.8° | 109.5° |
| OAP | CAQ | CAR | 104.2° | 101.7° |
| OAP | CAQ | CAT | 113.1° | 111.0° |
| OAP | CAQ | HAQ | 110.7° | 111.0° |
| NAK | CAJ | HAJ | 108.5° | 109.5° |
| NAK | CAJ | HAJA | 107.8° | 109.5° |
| CAJ | NAK | CAO | 111.5° | 126.4° |
| CAJ | NAK | CAL | 109.0° | 126.4° |
| HAJ | CAJ | HAJA | 111.8° | 109.5° |
| CAO | NAK | CAL | 105.8° | 107.2° |
| NAK | CAO | NAN | 107.0° | 108.7° |
| NAK | CAO | HAO | 126.5° | 125.7° |
| NAK | CAL | CAM | 106.3° | 106.8° |
| NAK | CAL | HAL | 126.9° | 126.6° |
| NAN | CAO | HAO | 126.5° | 125.6° |
| CAO | NAN | CAM | 110.9° | 109.2° |
| NAN | CAM | CAL | 110.0° | 108.0° |
| NAN | CAM | HAM | 125.0° | 126.0° |
| CAL | CAM | HAM | 125.0° | 126.0° |
| CAM | CAL | HAL | 126.9° | 126.6° |
| OAS | CAR | CAQ | 105.3° | 103.1° |
| OAS | CAR | HAR | 110.9° | 110.7° |
| OAS | CAR | HARA | 111.8° | 110.7° |
| CAQ | CAR | HAR | 110.9° | 110.7° |
| CAQ | CAR | HARA | 111.8° | 110.9° |
| CAR | CAQ | CAT | 109.6° | 110.9° |
| CAR | CAQ | HAQ | 114.1° | 111.0° |
| HAR | CAR | HARA | 106.3° | 110.6° |
| CAT | CAQ | HAQ | 105.4° | 110.9° |
| CAQ | CAT | SAU | 111.4° | 109.4° |
| CAQ | CAT | HAT | 108.8° | 109.5° |
| CAQ | CAT | HATA | 108.4° | 109.5° |
| SAU | CAT | HAT | 108.8° | 109.4° |
| SAU | CAT | HATA | 108.4° | 109.5° |
| CAT | SAU | CAV | 107.9° | 103.0° |
| HAT | CAT | HATA | 111.0° | 109.5° |
| SAU | CAV | NAW | 118.7° | 119.7° |
| SAU | CAV | CBA | 120.1° | 119.8° |
| NAW | CAV | CBA | 121.2° | 120.5° |
| CAV | NAW | CAX | 120.6° | 121.6° |
| CAV | CBA | CAZ | 119.2° | 119.2° |
| CAV | CBA | HBA | 120.4° | 120.4° |
| CAZ | CBA | HBA | 120.4° | 120.5° |
| CBA | CAZ | CAY | 118.6° | 118.5° |
| CBA | CAZ | HAZ | 120.7° | 120.8° |
| NAW | CAX | CAY | 120.1° | 120.9° |
| NAW | CAX | HAX | 120.0° | 119.5° |
| CAY | CAX | HAX | 120.0° | 119.6° |
| CAX | CAY | CBB | 119.6° | 120.3° |
| CAX | CAY | CAZ | 120.4° | 119.3° |
| CBB | CAY | CAZ | 120.0° | 120.4° |
| CAY | CBB | FBE | 105.8° | 109.4° |
| CAY | CBB | FBD | 110.9° | 109.5° |
| CAY | CBB | FBC | 110.7° | 109.5° |
| CAY | CAZ | HAZ | 120.7° | 120.7° |
| FBE | CBB | FBD | 109.2° | 109.5° |
| FBE | CBB | FBC | 108.2° | 109.5° |
| FBD | CBB | FBC | 111.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLBF | CAB | CAC | CAA | 179.9° | 179.7° |
| CLBF | CAB | CAC | CAD | 179.9° | 180.0° |
| CLBF | CAB | CAC | HAC | 0.0° | 0.0° |
| CLBF | CAB | CAA | CAF | 179.9° | 180.0° |
| CLBF | CAB | CAA | HAA | 0.1° | 0.0° |
| CAB | CAC | CAD | HAC | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.2° | 0.0° |
| CAB | CAC | CAD | HAD | 179.8° | 180.0° |
| CAC | CAB | CAA | CAF | 0.2° | 0.3° |
| CAC | CAB | CAA | HAA | 179.8° | 179.7° |
| CAA | CAB | CAC | CAD | 0.1° | 0.3° |
| CAA | CAB | CAC | HAC | 179.9° | 179.7° |
| CAB | CAA | CAF | HAA | 180.0° | 180.0° |
| CAB | CAA | CAF | CAE | 0.1° | 0.0° |
| CAB | CAA | CAF | HAF | 179.9° | 180.0° |
| CAC | CAD | CAE | HAD | 180.0° | 180.0° |
| CAC | CAD | CAE | CAF | 0.4° | 0.3° |
| CAC | CAD | CAE | CAG | 179.7° | 179.9° |
| HAC | CAC | CAD | CAE | 179.8° | 180.0° |
| HAC | CAC | CAD | HAD | 0.2° | 0.0° |
| CAD | CAE | CAF | CAA | 0.4° | 0.3° |
| CAD | CAE | CAF | CAG | 179.2° | 179.7° |
| CAD | CAE | CAF | HAF | 179.6° | 179.7° |
| CAD | CAE | CAG | CAH | 68.2° | 90.0° |
| CAD | CAE | CAG | HAG | 51.8° | 150.0° |
| CAD | CAE | CAG | HAGA | 170.7° | 30.0° |
| HAD | CAD | CAE | CAF | 179.5° | 179.7° |
| HAD | CAD | CAE | CAG | 0.3° | 0.0° |
| CAA | CAF | CAE | HAF | 180.0° | 180.0° |
| CAA | CAF | CAE | CAG | 179.6° | 180.0° |
| HAA | CAA | CAF | CAE | 180.0° | 180.0° |
| HAA | CAA | CAF | HAF | 0.0° | 0.0° |
| CAF | CAE | CAG | CAH | 111.0° | 89.7° |
| CAF | CAE | CAG | HAG | 129.0° | 30.2° |
| CAF | CAE | CAG | HAGA | 10.0° | 150.2° |
| HAF | CAF | CAE | CAG | 0.4° | 0.1° |
| CAE | CAG | CAH | HAG | 120.0° | 120.0° |
| CAE | CAG | CAH | HAGA | 121.0° | 120.0° |
| CAE | CAG | HAG | HAGA | 121.1° | 120.0° |
| CAE | CAG | CAH | CAI | 85.3° | 180.0° |
| CAE | CAG | CAH | HAH | 34.7° | 60.0° |
| CAE | CAG | CAH | HAHA | 155.1° | 60.0° |
| CAH | CAG | HAG | HAGA | 121.1° | 120.0° |
| CAG | CAH | CAI | HAH | 120.0° | 120.0° |
| CAG | CAH | CAI | HAHA | 119.5° | 120.0° |
| CAG | CAH | HAH | HAHA | 119.5° | 120.0° |
| CAG | CAH | CAI | OAP | 25.7° | 60.1° |
| CAG | CAH | CAI | OAS | 91.7° | 59.3° |
| CAG | CAH | CAI | CAJ | 146.9° | 179.7° |
| HAG | CAG | CAH | CAI | 154.7° | 60.0° |
| HAG | CAG | CAH | HAH | 85.3° | 179.9° |
| HAG | CAG | CAH | HAHA | 35.1° | 60.0° |
| HAGA | CAG | CAH | CAI | 35.7° | 60.0° |
| HAGA | CAG | CAH | HAH | 155.7° | 60.0° |
| HAGA | CAG | CAH | HAHA | 83.9° | 180.0° |
| CAI | CAH | HAH | HAHA | 119.6° | 120.0° |
| CAH | CAI | OAP | OAS | 118.9° | 119.9° |
| CAH | CAI | OAP | CAJ | 122.3° | 120.3° |
| CAH | CAI | OAS | CAJ | 121.4° | 120.4° |
| CAH | CAI | OAP | CAQ | 149.2° | 144.2° |
| CAH | CAI | CAJ | NAK | 91.0° | 180.0° |
| CAH | CAI | CAJ | HAJ | 149.0° | 60.0° |
| CAH | CAI | CAJ | HAJA | 27.7° | 60.0° |
| CAH | CAI | OAS | CAR | 139.2° | 120.6° |
| HAH | CAH | CAI | OAP | 94.3° | 59.9° |
| HAH | CAH | CAI | OAS | 148.3° | 179.3° |
| HAH | CAH | CAI | CAJ | 26.9° | 60.3° |
| HAHA | CAH | CAI | OAP | 145.3° | 179.9° |
| HAHA | CAH | CAI | OAS | 27.9° | 60.7° |
| HAHA | CAH | CAI | CAJ | 93.5° | 59.7° |
| OAP | CAI | OAS | CAJ | 117.6° | 119.8° |
| OAP | CAI | CAJ | NAK | 145.7° | 59.7° |
| OAP | CAI | CAJ | HAJ | 25.7° | 60.3° |
| OAP | CAI | CAJ | HAJA | 95.6° | 179.7° |
| OAP | CAI | OAS | CAR | 18.2° | 0.7° |
| CAI | OAP | CAQ | CAR | 29.6° | 36.1° |
| CAI | OAP | CAQ | CAT | 148.6° | 154.2° |
| CAI | OAP | CAQ | HAQ | 93.5° | 82.0° |
| OAS | CAI | OAP | CAQ | 30.3° | 24.4° |
| OAS | CAI | CAJ | NAK | 29.5° | 59.6° |
| OAS | CAI | CAJ | HAJ | 90.5° | 179.7° |
| OAS | CAI | CAJ | HAJA | 148.2° | 60.3° |
| CAI | OAS | CAR | CAQ | 0.2° | 21.4° |
| CAI | OAS | CAR | HAR | 120.2° | 139.8° |
| CAI | OAS | CAR | HARA | 121.4° | 97.2° |
| CAJ | CAI | OAP | CAQ | 88.6° | 95.5° |
| CAI | CAJ | NAK | HAJ | 120.0° | 120.0° |
| CAI | CAJ | NAK | HAJA | 118.7° | 120.0° |
| CAI | CAJ | HAJ | HAJA | 118.8° | 120.0° |
| CAI | CAJ | NAK | CAO | 39.0° | 90.1° |
| CAI | CAJ | NAK | CAL | 155.5° | 90.3° |
| CAJ | CAI | OAS | CAR | 99.4° | 119.1° |
| OAP | CAQ | CAR | OAS | 18.4° | 35.6° |
| OAP | CAQ | CAR | CAT | 121.3° | 118.1° |
| OAP | CAQ | CAR | HAQ | 120.8° | 118.1° |
| OAP | CAQ | CAR | HAR | 138.3° | 154.0° |
| OAP | CAQ | CAR | HARA | 103.2° | 82.9° |
| OAP | CAQ | CAT | HAQ | 121.0° | 123.9° |
| OAP | CAQ | CAT | SAU | 161.8° | 66.5° |
| OAP | CAQ | CAT | HAT | 78.2° | 173.6° |
| OAP | CAQ | CAT | HATA | 42.6° | 53.5° |
| NAK | CAJ | HAJ | HAJA | 118.8° | 120.1° |
| CAJ | NAK | CAO | CAL | 118.4° | 179.6° |
| CAJ | NAK | CAO | NAN | 118.3° | 180.0° |
| CAJ | NAK | CAO | HAO | 61.8° | 0.1° |
| CAJ | NAK | CAL | CAM | 119.9° | 179.9° |
| CAJ | NAK | CAL | HAL | 60.1° | 0.1° |
| HAJ | CAJ | NAK | CAO | 81.0° | 29.9° |
| HAJ | CAJ | NAK | CAL | 35.5° | 149.7° |
| HAJA | CAJ | NAK | CAO | 157.8° | 149.9° |
| HAJA | CAJ | NAK | CAL | 85.8° | 29.6° |
| NAK | CAO | NAN | HAO | 180.0° | 179.9° |
| NAK | CAO | NAN | CAM | 0.0° | 0.0° |
| CAO | NAK | CAL | CAM | 0.2° | 0.5° |
| CAO | NAK | CAL | HAL | 179.8° | 179.7° |
| CAL | NAK | CAO | NAN | 0.1° | 0.3° |
| CAL | NAK | CAO | HAO | 179.9° | 179.8° |
| NAK | CAL | CAM | NAN | 0.2° | 0.4° |
| NAK | CAL | CAM | HAL | 180.0° | 179.8° |
| NAK | CAL | CAM | HAM | 179.8° | 179.8° |
| CAO | NAN | CAM | CAL | 0.1° | 0.3° |
| CAO | NAN | CAM | HAM | 179.9° | 180.0° |
| HAO | CAO | NAN | CAM | 180.0° | 179.9° |
| NAN | CAM | CAL | HAM | 180.0° | 179.8° |
| NAN | CAM | CAL | HAL | 179.8° | 179.7° |
| HAM | CAM | CAL | HAL | 0.1° | 0.1° |
| OAS | CAR | CAQ | HAR | 120.0° | 118.4° |
| OAS | CAR | CAQ | HARA | 121.6° | 118.5° |
| OAS | CAR | HAR | HARA | 121.7° | 123.0° |
| OAS | CAR | CAQ | CAT | 139.6° | 153.6° |
| OAS | CAR | CAQ | HAQ | 102.5° | 82.5° |
| CAQ | CAR | HAR | HARA | 121.7° | 123.3° |
| CAR | CAQ | CAT | HAQ | 123.2° | 123.9° |
| CAR | CAQ | CAT | SAU | 82.5° | 178.8° |
| CAR | CAQ | CAT | HAT | 37.5° | 61.3° |
| CAR | CAQ | CAT | HATA | 158.4° | 58.8° |
| HAR | CAR | CAQ | CAT | 100.4° | 87.9° |
| HAR | CAR | CAQ | HAQ | 17.5° | 35.9° |
| HARA | CAR | CAQ | CAT | 18.1° | 35.2° |
| HARA | CAR | CAQ | HAQ | 136.0° | 159.0° |
| CAQ | CAT | SAU | HAT | 120.0° | 120.0° |
| CAQ | CAT | SAU | HATA | 119.2° | 120.0° |
| CAQ | CAT | HAT | HATA | 119.2° | 120.1° |
| CAQ | CAT | SAU | CAV | 142.4° | 180.0° |
| HAQ | CAQ | CAT | SAU | 40.7° | 57.4° |
| HAQ | CAQ | CAT | HAT | 160.8° | 62.6° |
| HAQ | CAQ | CAT | HATA | 78.4° | 177.4° |
| SAU | CAT | HAT | HATA | 119.2° | 120.0° |
| CAT | SAU | CAV | NAW | 43.0° | 0.2° |
| CAT | SAU | CAV | CBA | 136.4° | 180.0° |
| HAT | CAT | SAU | CAV | 97.6° | 60.0° |
| HATA | CAT | SAU | CAV | 23.2° | 60.0° |
| SAU | CAV | NAW | CBA | 179.4° | 179.8° |
| SAU | CAV | CBA | CAZ | 179.4° | 180.0° |
| SAU | CAV | CBA | HBA | 0.7° | 0.0° |
| SAU | CAV | NAW | CAX | 179.2° | 179.9° |
| NAW | CAV | CBA | CAZ | 0.0° | 0.2° |
| NAW | CAV | CBA | HBA | 180.0° | 179.8° |
| CAV | NAW | CAX | CAY | 0.6° | 0.1° |
| CAV | NAW | CAX | HAX | 179.4° | 180.0° |
| CAV | CBA | CAZ | HBA | 180.0° | 180.0° |
| CBA | CAV | NAW | CAX | 0.2° | 0.2° |
| CAV | CBA | CAZ | CAY | 0.2° | 0.0° |
| CAV | CBA | CAZ | HAZ | 179.8° | 179.7° |
| CBA | CAZ | CAY | CAX | 0.6° | 0.2° |
| CBA | CAZ | CAY | CBB | 178.8° | 180.0° |
| CBA | CAZ | CAY | HAZ | 180.0° | 179.7° |
| HBA | CBA | CAZ | CAY | 179.7° | 180.0° |
| HBA | CBA | CAZ | HAZ | 0.3° | 0.3° |
| NAW | CAX | CAY | HAX | 180.0° | 180.0° |
| NAW | CAX | CAY | CBB | 179.0° | 179.9° |
| NAW | CAX | CAY | CAZ | 0.8° | 0.3° |
| CAX | CAY | CBB | CAZ | 178.2° | 179.8° |
| CAX | CAY | CAZ | HAZ | 179.4° | 180.0° |
| CAX | CAY | CBB | FBE | 97.0° | 120.0° |
| CAX | CAY | CBB | FBD | 21.3° | 120.0° |
| CAX | CAY | CBB | FBC | 146.0° | 0.1° |
| HAX | CAX | CAY | CBB | 1.0° | 0.0° |
| HAX | CAX | CAY | CAZ | 179.2° | 179.8° |
| CBB | CAY | CAZ | HAZ | 1.2° | 0.2° |
| CAY | CBB | FBE | FBD | 119.4° | 120.0° |
| CAY | CBB | FBE | FBC | 118.7° | 120.0° |
| CAY | CBB | FBD | FBC | 124.1° | 120.0° |
| CAZ | CAY | CBB | FBE | 81.2° | 59.8° |
| CAZ | CAY | CBB | FBD | 160.6° | 60.2° |
| CAZ | CAY | CBB | FBC | 35.8° | 179.7° |
| FBE | CBB | FBD | FBC | 119.7° | 120.0° |
