8PR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAA | CAR | sing | 1.35Å | 1.34Å | |
| CAR | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAR | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAS | CAD | doub | 1.39Å | 1.54Å | Aromatic |
| CAD | CAG | sing | 1.38Å | 1.52Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | CAT | doub | 1.38Å | 1.41Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | CAT | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAU | CAG | doub | 1.38Å | 1.33Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAS | sing | 1.39Å | 1.52Å | Aromatic |
| CAH | CAV | doub | 1.39Å | 1.33Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | CAI | sing | 1.53Å | 1.55Å | |
| CAI | NAN | sing | 1.47Å | 1.50Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAJ | CAX | sing | 1.53Å | 1.54Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAW | CAK | sing | 1.53Å | 1.55Å | |
| NAN | CAK | sing | 1.47Å | 1.51Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| OAQ | CAL | sing | 1.44Å | 1.47Å | |
| OAP | CAL | sing | 1.44Å | 1.46Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAW | CAM | sing | 1.53Å | 1.54Å | |
| CAM | OAO | sing | 1.43Å | 1.41Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| NAN | HNAN | sing | 1.01Å | 1.00Å | |
| OAO | CAS | sing | 1.36Å | 1.43Å | |
| CAU | OAP | sing | 1.37Å | 1.34Å | |
| CAV | OAQ | sing | 1.36Å | 1.32Å | |
| CAT | CAX | sing | 1.51Å | 1.54Å | |
| CAV | CAU | sing | 1.39Å | 1.48Å | Aromatic |
| CAX | CAW | sing | 1.53Å | 1.53Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAA | CAR | CAB | 118.9° | 120.0° |
| FAA | CAR | CAC | 118.1° | 120.0° |
| CAR | CAB | CAE | 116.6° | 120.0° |
| CAR | CAB | HAB | 121.7° | 120.0° |
| CAB | CAR | CAC | 123.0° | 120.0° |
| CAE | CAB | HAB | 121.7° | 120.0° |
| CAB | CAE | CAT | 120.9° | 120.0° |
| CAB | CAE | HAE | 119.5° | 120.0° |
| CAR | CAC | CAF | 120.2° | 120.0° |
| CAR | CAC | HAC | 119.9° | 120.0° |
| CAF | CAC | HAC | 119.9° | 120.0° |
| CAC | CAF | CAT | 117.3° | 120.0° |
| CAC | CAF | HAF | 121.4° | 120.0° |
| CAS | CAD | CAG | 113.8° | 120.0° |
| CAS | CAD | HAD | 123.1° | 120.0° |
| CAD | CAS | CAH | 117.6° | 120.0° |
| CAD | CAS | OAO | 120.3° | 120.0° |
| CAG | CAD | HAD | 123.1° | 120.0° |
| CAD | CAG | CAU | 124.4° | 120.1° |
| CAD | CAG | HAG | 117.8° | 119.9° |
| CAT | CAE | HAE | 119.6° | 120.0° |
| CAE | CAT | CAF | 122.0° | 120.0° |
| CAE | CAT | CAX | 120.8° | 120.0° |
| CAT | CAF | HAF | 121.4° | 120.0° |
| CAF | CAT | CAX | 117.2° | 120.0° |
| CAU | CAG | HAG | 117.8° | 120.0° |
| CAG | CAU | OAP | 132.7° | 131.4° |
| CAG | CAU | CAV | 118.6° | 119.9° |
| CAS | CAH | CAV | 119.7° | 120.0° |
| CAS | CAH | HAH | 120.1° | 120.0° |
| CAH | CAS | OAO | 120.4° | 120.0° |
| CAV | CAH | HAH | 120.1° | 120.0° |
| CAH | CAV | OAQ | 128.2° | 131.5° |
| CAH | CAV | CAU | 122.9° | 119.9° |
| CAJ | CAI | NAN | 115.5° | 109.5° |
| CAJ | CAI | HAI | 107.5° | 109.5° |
| CAJ | CAI | HAIA | 107.5° | 109.5° |
| CAI | CAJ | CAX | 112.7° | 109.3° |
| CAI | CAJ | HAJ | 108.4° | 109.5° |
| CAI | CAJ | HAJA | 108.4° | 109.5° |
| NAN | CAI | HAI | 107.5° | 109.4° |
| NAN | CAI | HAIA | 107.5° | 109.4° |
| CAI | NAN | CAK | 111.5° | 111.2° |
| CAI | NAN | HNAN | 108.8° | 111.0° |
| HAI | CAI | HAIA | 111.3° | 109.5° |
| CAX | CAJ | HAJ | 108.4° | 109.5° |
| CAX | CAJ | HAJA | 108.4° | 109.5° |
| CAJ | CAX | CAT | 104.5° | 109.5° |
| CAJ | CAX | CAW | 109.6° | 109.1° |
| CAJ | CAX | HAX | 113.6° | 109.5° |
| HAJ | CAJ | HAJA | 110.5° | 109.5° |
| CAW | CAK | NAN | 110.4° | 109.5° |
| CAW | CAK | HAK | 109.2° | 109.5° |
| CAW | CAK | HAKA | 109.2° | 109.5° |
| CAK | CAW | CAM | 106.0° | 109.5° |
| CAK | CAW | CAX | 108.7° | 109.3° |
| CAK | CAW | HAW | 112.4° | 109.6° |
| NAN | CAK | HAK | 109.1° | 109.4° |
| NAN | CAK | HAKA | 109.1° | 109.4° |
| CAK | NAN | HNAN | 108.8° | 111.0° |
| HAK | CAK | HAKA | 109.8° | 109.5° |
| OAQ | CAL | OAP | 105.7° | 103.8° |
| OAQ | CAL | HAL | 110.7° | 110.7° |
| OAQ | CAL | HALA | 110.7° | 110.5° |
| CAL | OAQ | CAV | 105.2° | 105.6° |
| OAP | CAL | HAL | 110.7° | 110.6° |
| OAP | CAL | HALA | 110.7° | 110.6° |
| CAL | OAP | CAU | 102.4° | 105.5° |
| HAL | CAL | HALA | 108.2° | 110.5° |
| CAW | CAM | OAO | 106.3° | 109.5° |
| CAW | CAM | HAM | 110.5° | 109.5° |
| CAW | CAM | HAMA | 110.6° | 109.5° |
| CAM | CAW | CAX | 110.1° | 109.4° |
| CAM | CAW | HAW | 111.1° | 109.5° |
| OAO | CAM | HAM | 110.6° | 109.5° |
| OAO | CAM | HAMA | 110.5° | 109.5° |
| CAM | OAO | CAS | 114.6° | 117.0° |
| HAM | CAM | HAMA | 108.4° | 109.5° |
| OAP | CAU | CAV | 108.6° | 108.6° |
| OAQ | CAV | CAU | 108.3° | 108.6° |
| CAT | CAX | CAW | 112.4° | 109.5° |
| CAT | CAX | HAX | 111.0° | 109.6° |
| CAX | CAW | HAW | 108.5° | 109.5° |
| CAW | CAX | HAX | 106.0° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAA | CAR | CAB | CAC | 178.7° | 180.0° |
| FAA | CAR | CAB | CAE | 179.5° | 180.0° |
| FAA | CAR | CAB | HAB | 0.5° | 0.2° |
| FAA | CAR | CAC | CAF | 179.4° | 179.5° |
| FAA | CAR | CAC | HAC | 0.6° | 0.3° |
| CAR | CAB | CAE | HAB | 180.0° | 179.8° |
| CAB | CAR | CAC | CAF | 1.9° | 0.5° |
| CAB | CAR | CAC | HAC | 178.1° | 179.8° |
| CAR | CAB | CAE | CAT | 1.3° | 0.3° |
| CAR | CAB | CAE | HAE | 178.7° | 179.8° |
| CAE | CAB | CAR | CAC | 1.8° | 0.0° |
| CAB | CAE | CAT | HAE | 180.0° | 179.9° |
| CAB | CAE | CAT | CAF | 1.0° | 0.0° |
| CAB | CAE | CAT | CAX | 178.1° | 180.0° |
| HAB | CAB | CAR | CAC | 178.2° | 179.8° |
| HAB | CAB | CAE | CAT | 178.7° | 179.9° |
| HAB | CAB | CAE | HAE | 1.3° | 0.0° |
| CAR | CAC | CAF | HAC | 180.0° | 179.3° |
| CAR | CAC | CAF | CAT | 1.4° | 0.8° |
| CAR | CAC | CAF | HAF | 178.6° | 179.2° |
| CAC | CAF | CAT | CAE | 1.0° | 0.5° |
| CAC | CAF | CAT | HAF | 180.0° | 180.0° |
| CAC | CAF | CAT | CAX | 178.1° | 179.5° |
| HAC | CAC | CAF | CAT | 178.6° | 180.0° |
| HAC | CAC | CAF | HAF | 1.4° | 0.0° |
| CAS | CAD | CAG | HAD | 180.0° | 179.7° |
| CAS | CAD | CAG | CAU | 11.2° | 0.3° |
| CAS | CAD | CAG | HAG | 168.8° | 179.7° |
| CAD | CAS | CAH | OAO | 165.5° | 180.0° |
| CAD | CAS | CAH | CAV | 3.7° | 0.5° |
| CAD | CAS | CAH | HAH | 176.4° | 179.9° |
| CAD | CAS | OAO | CAM | 19.4° | 0.0° |
| CAD | CAG | CAU | HAG | 180.0° | 180.0° |
| CAG | CAD | CAS | CAH | 9.7° | 0.0° |
| CAG | CAD | CAS | OAO | 175.2° | 180.0° |
| CAD | CAG | CAU | OAP | 175.9° | 180.0° |
| CAD | CAG | CAU | CAV | 0.9° | 0.0° |
| HAD | CAD | CAG | CAU | 168.8° | 180.0° |
| HAD | CAD | CAG | HAG | 11.2° | 0.0° |
| HAD | CAD | CAS | CAH | 170.2° | 179.7° |
| HAD | CAD | CAS | OAO | 4.8° | 0.3° |
| CAE | CAT | CAF | CAX | 179.1° | 180.0° |
| CAE | CAT | CAF | HAF | 179.0° | 179.5° |
| CAE | CAT | CAX | CAJ | 46.9° | 120.0° |
| CAE | CAT | CAX | CAW | 71.9° | 120.3° |
| CAE | CAT | CAX | HAX | 169.7° | 0.1° |
| HAE | CAE | CAT | CAF | 179.0° | 180.0° |
| HAE | CAE | CAT | CAX | 2.0° | 0.1° |
| CAF | CAT | CAX | CAJ | 132.2° | 60.0° |
| CAF | CAT | CAX | CAW | 109.0° | 59.7° |
| CAF | CAT | CAX | HAX | 9.4° | 179.9° |
| HAF | CAF | CAT | CAX | 1.9° | 0.5° |
| CAG | CAU | CAV | CAH | 16.5° | 0.5° |
| CAG | CAU | OAP | CAL | 157.2° | 162.8° |
| CAG | CAU | OAP | CAV | 177.0° | 180.0° |
| CAG | CAU | CAV | OAQ | 171.5° | 179.9° |
| HAG | CAG | CAU | OAP | 4.1° | 0.1° |
| HAG | CAG | CAU | CAV | 179.1° | 179.9° |
| CAS | CAH | CAV | HAH | 180.0° | 179.6° |
| CAH | CAS | OAO | CAM | 175.5° | 180.0° |
| CAS | CAH | CAV | OAQ | 172.3° | 180.0° |
| CAS | CAH | CAV | CAU | 17.4° | 0.8° |
| CAH | CAV | OAQ | CAL | 179.0° | 162.2° |
| CAV | CAH | CAS | OAO | 161.8° | 179.5° |
| CAH | CAV | CAU | OAP | 161.0° | 179.5° |
| CAH | CAV | OAQ | CAU | 171.4° | 179.3° |
| HAH | CAH | CAS | OAO | 18.2° | 0.1° |
| HAH | CAH | CAV | OAQ | 7.7° | 0.4° |
| HAH | CAH | CAV | CAU | 162.6° | 179.7° |
| CAJ | CAI | NAN | HAI | 120.0° | 120.0° |
| CAJ | CAI | NAN | HAIA | 120.0° | 120.0° |
| CAJ | CAI | HAI | HAIA | 117.6° | 120.0° |
| CAI | CAJ | CAX | HAJ | 120.0° | 119.9° |
| CAI | CAJ | CAX | HAJA | 120.0° | 120.0° |
| CAI | CAJ | HAJ | HAJA | 118.7° | 120.0° |
| CAJ | CAI | NAN | CAK | 47.0° | 61.7° |
| CAJ | CAI | NAN | HNAN | 73.0° | 62.4° |
| CAI | CAJ | CAX | CAT | 172.4° | 177.6° |
| CAI | CAJ | CAX | CAW | 51.8° | 57.7° |
| CAI | CAJ | CAX | HAX | 66.6° | 62.3° |
| NAN | CAI | HAI | HAIA | 117.5° | 119.9° |
| NAN | CAI | CAJ | CAX | 45.4° | 59.2° |
| NAN | CAI | CAJ | HAJ | 165.4° | 179.2° |
| NAN | CAI | CAJ | HAJA | 74.6° | 60.8° |
| CAI | NAN | CAK | CAW | 55.8° | 61.7° |
| CAI | NAN | CAK | HNAN | 120.0° | 124.1° |
| CAI | NAN | CAK | HAK | 64.2° | 178.2° |
| CAI | NAN | CAK | HAKA | 175.8° | 58.3° |
| HAI | CAI | CAJ | CAX | 165.4° | 179.2° |
| HAI | CAI | CAJ | HAJ | 74.6° | 60.8° |
| HAI | CAI | CAJ | HAJA | 45.4° | 59.2° |
| HAI | CAI | NAN | CAK | 167.0° | 178.2° |
| HAI | CAI | NAN | HNAN | 47.0° | 57.6° |
| HAIA | CAI | CAJ | CAX | 74.6° | 60.8° |
| HAIA | CAI | CAJ | HAJ | 45.4° | 59.2° |
| HAIA | CAI | CAJ | HAJA | 165.4° | 179.2° |
| HAIA | CAI | NAN | CAK | 73.1° | 58.3° |
| HAIA | CAI | NAN | HNAN | 167.0° | 177.6° |
| CAX | CAJ | HAJ | HAJA | 118.7° | 120.1° |
| CAJ | CAX | CAW | CAK | 61.0° | 57.7° |
| CAJ | CAX | CAW | CAM | 176.6° | 177.6° |
| CAJ | CAX | CAT | CAW | 118.8° | 119.6° |
| CAJ | CAX | CAT | HAX | 122.8° | 120.1° |
| CAJ | CAX | CAW | HAX | 123.0° | 119.9° |
| CAJ | CAX | CAW | HAW | 61.6° | 62.4° |
| HAJ | CAJ | CAX | CAT | 67.6° | 62.5° |
| HAJ | CAJ | CAX | CAW | 171.7° | 177.6° |
| HAJ | CAJ | CAX | HAX | 53.4° | 57.7° |
| HAJA | CAJ | CAX | CAT | 52.4° | 57.6° |
| HAJA | CAJ | CAX | CAW | 68.2° | 62.3° |
| HAJA | CAJ | CAX | HAX | 173.5° | 177.8° |
| CAW | CAK | NAN | HAK | 120.0° | 120.0° |
| CAW | CAK | NAN | HAKA | 120.0° | 120.0° |
| CAW | CAK | HAK | HAKA | 119.6° | 120.0° |
| CAK | CAW | CAM | CAX | 117.4° | 119.8° |
| CAK | CAW | CAM | HAW | 122.4° | 120.1° |
| CAK | CAW | CAM | OAO | 54.3° | 65.0° |
| CAK | CAW | CAM | HAM | 174.3° | 175.0° |
| CAK | CAW | CAM | HAMA | 65.7° | 55.0° |
| CAW | CAK | NAN | HNAN | 64.2° | 62.4° |
| CAK | CAW | CAX | CAT | 176.7° | 177.6° |
| CAK | CAW | CAX | HAW | 122.5° | 120.1° |
| CAK | CAW | CAX | HAX | 62.0° | 62.2° |
| NAN | CAK | HAK | HAKA | 119.6° | 119.9° |
| NAN | CAK | CAW | CAM | 177.9° | 179.1° |
| NAN | CAK | CAW | CAX | 63.8° | 59.2° |
| NAN | CAK | CAW | HAW | 56.3° | 60.8° |
| HAK | CAK | CAW | CAM | 62.1° | 60.9° |
| HAK | CAK | NAN | HNAN | 175.8° | 57.7° |
| HAK | CAK | CAW | CAX | 56.2° | 179.2° |
| HAK | CAK | CAW | HAW | 176.3° | 59.2° |
| HAKA | CAK | CAW | CAM | 58.0° | 59.1° |
| HAKA | CAK | NAN | HNAN | 55.8° | 177.6° |
| HAKA | CAK | CAW | CAX | 176.2° | 60.8° |
| HAKA | CAK | CAW | HAW | 63.6° | 179.2° |
| OAQ | CAL | OAP | HAL | 120.0° | 118.7° |
| OAQ | CAL | OAP | HALA | 120.0° | 118.6° |
| OAQ | CAL | HAL | HALA | 121.5° | 122.8° |
| OAQ | CAL | OAP | CAU | 31.5° | 27.0° |
| CAL | OAQ | CAV | CAU | 9.5° | 17.1° |
| OAP | CAL | HAL | HALA | 121.5° | 122.8° |
| OAP | CAL | OAQ | CAV | 25.3° | 26.9° |
| CAL | OAP | CAU | CAV | 25.8° | 17.3° |
| HAL | CAL | OAP | CAU | 88.5° | 145.7° |
| HAL | CAL | OAQ | CAV | 94.7° | 145.6° |
| HALA | CAL | OAP | CAU | 151.5° | 91.6° |
| HALA | CAL | OAQ | CAV | 145.3° | 91.7° |
| CAW | CAM | OAO | HAM | 120.0° | 120.0° |
| CAW | CAM | OAO | HAMA | 120.0° | 120.0° |
| CAW | CAM | HAM | HAMA | 121.3° | 120.0° |
| CAW | CAM | OAO | CAS | 168.9° | 180.0° |
| CAM | CAW | CAX | CAT | 67.6° | 62.5° |
| CAM | CAW | CAX | HAW | 121.8° | 120.0° |
| CAM | CAW | CAX | HAX | 53.7° | 57.7° |
| OAO | CAM | HAM | HAMA | 121.3° | 120.0° |
| OAO | CAM | CAW | CAX | 63.0° | 175.2° |
| OAO | CAM | CAW | HAW | 176.7° | 55.1° |
| HAM | CAM | OAO | CAS | 48.9° | 60.0° |
| HAM | CAM | CAW | CAX | 57.0° | 55.2° |
| HAM | CAM | CAW | HAW | 63.3° | 64.9° |
| HAMA | CAM | OAO | CAS | 71.1° | 60.0° |
| HAMA | CAM | CAW | CAX | 177.0° | 64.8° |
| HAMA | CAM | CAW | HAW | 56.8° | 175.1° |
| OAP | CAU | CAV | OAQ | 11.0° | 0.1° |
| CAT | CAX | CAW | HAX | 121.3° | 120.2° |
| CAT | CAX | CAW | HAW | 54.2° | 57.5° |
| HAW | CAW | CAX | HAX | 175.5° | 177.8° |
