6PN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAK | sing | 1.53Å | 1.54Å | |
| OAB | CAR | sing | 1.36Å | 1.37Å | |
| CAC | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAS | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAS | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAL | sing | 1.53Å | 1.51Å | |
| CAL | CAM | sing | 1.53Å | 1.52Å | |
| CAM | CAN | sing | 1.53Å | 1.52Å | |
| CAN | CAO | sing | 1.53Å | 1.53Å | |
| CAO | CAQ | sing | 1.51Å | 1.51Å | |
| OAP | CAS | sing | 1.36Å | 1.37Å | |
| OAP | CAT | sing | 1.36Å | 1.35Å | |
| CAR | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| 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 | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAK | CAL | 110.7° | 109.5° |
| CAK | CAA | HAA | 109.5° | 109.4° |
| CAK | CAA | HAAA | 109.5° | 109.5° |
| CAK | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAK | HAK | 109.2° | 109.5° |
| CAA | CAK | HAKA | 109.2° | 109.5° |
| OAB | CAR | CAJ | 124.3° | 120.1° |
| OAB | CAR | CAT | 117.2° | 120.0° |
| CAR | OAB | HOAB | 109.5° | 114.0° |
| CAD | CAC | CAE | 120.4° | 120.2° |
| CAC | CAD | CAF | 121.2° | 120.0° |
| CAD | CAC | HAC | 119.8° | 119.9° |
| CAC | CAD | HAD | 119.4° | 120.0° |
| CAC | CAE | CAG | 118.0° | 120.1° |
| CAE | CAC | HAC | 119.8° | 119.9° |
| CAC | CAE | HAE | 121.0° | 120.0° |
| CAD | CAF | CAS | 118.9° | 120.0° |
| CAF | CAD | HAD | 119.4° | 120.0° |
| CAD | CAF | HAF | 120.5° | 120.0° |
| CAE | CAG | CAS | 121.6° | 120.0° |
| CAG | CAE | HAE | 121.0° | 120.0° |
| CAE | CAG | HAG | 119.2° | 120.0° |
| CAF | CAS | CAG | 119.8° | 119.9° |
| CAF | CAS | OAP | 121.8° | 120.1° |
| CAS | CAF | HAF | 120.5° | 120.0° |
| CAG | CAS | OAP | 118.3° | 120.1° |
| CAS | CAG | HAG | 119.2° | 120.0° |
| CAI | CAH | CAQ | 119.5° | 120.2° |
| CAH | CAI | CAT | 120.0° | 120.0° |
| CAI | CAH | HAH | 120.3° | 119.9° |
| CAH | CAI | HAI | 120.0° | 120.0° |
| CAH | CAQ | CAJ | 120.1° | 120.2° |
| CAH | CAQ | CAO | 117.4° | 119.9° |
| CAQ | CAH | HAH | 120.3° | 119.9° |
| CAI | CAT | OAP | 120.0° | 120.0° |
| CAI | CAT | CAR | 121.0° | 119.8° |
| CAT | CAI | HAI | 120.0° | 120.0° |
| CAQ | CAJ | CAR | 120.6° | 120.0° |
| CAJ | CAQ | CAO | 122.3° | 119.9° |
| CAQ | CAJ | HAJ | 119.7° | 120.0° |
| CAJ | CAR | CAT | 118.3° | 119.9° |
| CAR | CAJ | HAJ | 119.7° | 120.0° |
| CAK | CAL | CAM | 114.2° | 109.5° |
| CAL | CAK | HAK | 109.2° | 109.5° |
| CAL | CAK | HAKA | 109.2° | 109.5° |
| CAK | CAL | HAL | 108.3° | 109.5° |
| CAK | CAL | HALA | 108.3° | 109.5° |
| CAL | CAM | CAN | 106.9° | 109.4° |
| CAM | CAL | HAL | 108.3° | 109.5° |
| CAM | CAL | HALA | 108.3° | 109.5° |
| CAL | CAM | HAM | 110.1° | 109.5° |
| CAL | CAM | HAMA | 110.1° | 109.4° |
| CAM | CAN | CAO | 112.2° | 109.4° |
| CAN | CAM | HAM | 110.1° | 109.5° |
| CAN | CAM | HAMA | 110.1° | 109.5° |
| CAM | CAN | HAN | 108.8° | 109.4° |
| CAM | CAN | HANA | 108.8° | 109.5° |
| CAN | CAO | CAQ | 105.8° | 109.4° |
| CAO | CAN | HAN | 108.8° | 109.5° |
| CAO | CAN | HANA | 108.8° | 109.5° |
| CAN | CAO | HAO | 110.4° | 109.5° |
| CAN | CAO | HAOA | 110.4° | 109.5° |
| CAQ | CAO | HAO | 110.4° | 109.4° |
| CAQ | CAO | HAOA | 110.4° | 109.4° |
| CAS | OAP | CAT | 113.8° | 118.0° |
| OAP | CAT | CAR | 118.5° | 120.1° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.4° | 109.5° |
| HAK | CAK | HAKA | 109.5° | 109.4° |
| HAL | CAL | HALA | 109.5° | 109.4° |
| HAM | CAM | HAMA | 109.5° | 109.5° |
| HAN | CAN | HANA | 109.5° | 109.5° |
| HAO | CAO | HAOA | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAK | CAL | HAK | 120.2° | 120.0° |
| CAA | CAK | CAL | HAKA | 120.2° | 120.0° |
| CAA | CAK | CAL | CAM | 171.8° | 180.0° |
| CAK | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAK | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAK | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAK | HAK | HAKA | 119.4° | 120.0° |
| CAA | CAK | CAL | HAL | 51.1° | 60.0° |
| CAA | CAK | CAL | HALA | 67.5° | 60.0° |
| OAB | CAR | CAT | CAI | 176.7° | 180.0° |
| OAB | CAR | CAJ | CAQ | 178.8° | 180.0° |
| OAB | CAR | CAJ | CAT | 175.5° | 180.0° |
| OAB | CAR | CAT | OAP | 4.4° | 0.1° |
| OAB | CAR | CAJ | HAJ | 1.2° | 0.0° |
| CAD | CAC | CAE | HAC | 180.0° | 179.7° |
| CAC | CAD | CAF | HAD | 180.0° | 179.9° |
| CAD | CAC | CAE | CAG | 1.0° | 0.0° |
| CAC | CAD | CAF | CAS | 0.8° | 0.0° |
| CAD | CAC | CAE | HAE | 179.0° | 179.9° |
| CAC | CAD | CAF | HAF | 179.2° | 179.9° |
| CAE | CAC | CAD | CAF | 1.4° | 0.1° |
| CAC | CAE | CAG | HAE | 180.0° | 179.9° |
| CAC | CAE | CAG | CAS | 0.1° | 0.1° |
| CAE | CAC | CAD | HAD | 178.6° | 180.0° |
| CAC | CAE | CAG | HAG | 179.9° | 180.0° |
| CAD | CAF | CAS | HAF | 180.0° | 179.9° |
| CAD | CAF | CAS | CAG | 0.3° | 0.0° |
| CAD | CAF | CAS | OAP | 178.2° | 180.0° |
| CAF | CAD | CAC | HAC | 178.6° | 179.7° |
| CAE | CAG | CAS | CAF | 0.7° | 0.1° |
| CAE | CAG | CAS | HAG | 180.0° | 179.9° |
| CAE | CAG | CAS | OAP | 178.7° | 180.0° |
| CAG | CAE | CAC | HAC | 179.0° | 179.7° |
| CAF | CAS | CAG | OAP | 178.0° | 180.0° |
| CAF | CAS | OAP | CAT | 4.8° | 67.6° |
| CAS | CAF | CAD | HAD | 179.3° | 179.9° |
| CAF | CAS | CAG | HAG | 179.3° | 180.0° |
| CAG | CAS | OAP | CAT | 177.2° | 112.4° |
| CAS | CAG | CAE | HAE | 180.0° | 180.0° |
| CAG | CAS | CAF | HAF | 179.7° | 180.0° |
| CAI | CAH | CAQ | HAH | 180.0° | 179.7° |
| CAH | CAI | CAT | HAI | 180.0° | 180.0° |
| CAI | CAH | CAQ | CAJ | 3.3° | 0.0° |
| CAI | CAH | CAQ | CAO | 178.9° | 180.0° |
| CAH | CAI | CAT | OAP | 179.5° | 180.0° |
| CAH | CAI | CAT | CAR | 7.3° | 0.0° |
| CAQ | CAH | CAI | CAT | 5.1° | 0.0° |
| CAH | CAQ | CAJ | CAO | 175.4° | 180.0° |
| CAH | CAQ | CAJ | CAR | 3.7° | 0.0° |
| CAH | CAQ | CAO | CAN | 93.6° | 90.0° |
| CAQ | CAH | CAI | HAI | 174.9° | 180.0° |
| CAH | CAQ | CAJ | HAJ | 176.3° | 179.9° |
| CAH | CAQ | CAO | HAO | 25.8° | 30.0° |
| CAH | CAQ | CAO | HAOA | 147.0° | 150.0° |
| CAI | CAT | CAR | CAJ | 7.5° | 0.0° |
| CAI | CAT | OAP | CAS | 100.7° | 6.3° |
| CAI | CAT | OAP | CAR | 172.4° | 180.0° |
| CAT | CAI | CAH | HAH | 174.9° | 179.7° |
| CAQ | CAJ | CAR | HAJ | 180.0° | 179.9° |
| CAJ | CAQ | CAO | CAN | 81.9° | 90.0° |
| CAQ | CAJ | CAR | CAT | 5.7° | 0.0° |
| CAJ | CAQ | CAH | HAH | 176.6° | 179.7° |
| CAJ | CAQ | CAO | HAO | 158.7° | 150.0° |
| CAJ | CAQ | CAO | HAOA | 37.5° | 30.0° |
| CAR | CAJ | CAQ | CAO | 179.1° | 180.0° |
| CAJ | CAR | CAT | OAP | 179.8° | 180.0° |
| CAJ | CAR | OAB | HOAB | 180.0° | 90.0° |
| CAK | CAL | CAM | HAL | 120.7° | 120.1° |
| CAK | CAL | CAM | HALA | 120.7° | 120.0° |
| CAK | CAL | CAM | CAN | 95.1° | 180.0° |
| CAL | CAK | CAA | HAA | 180.0° | 60.0° |
| CAL | CAK | CAA | HAAA | 60.0° | 180.0° |
| CAL | CAK | CAA | HAAB | 60.0° | 60.0° |
| CAL | CAK | HAK | HAKA | 119.4° | 120.0° |
| CAK | CAL | HAL | HALA | 117.8° | 120.0° |
| CAK | CAL | CAM | HAM | 24.5° | 60.0° |
| CAK | CAL | CAM | HAMA | 145.3° | 60.1° |
| CAL | CAM | CAN | HAM | 119.6° | 120.0° |
| CAL | CAM | CAN | HAMA | 119.6° | 119.9° |
| CAL | CAM | CAN | CAO | 144.3° | 180.0° |
| CAM | CAL | CAK | HAK | 68.0° | 60.0° |
| CAM | CAL | CAK | HAKA | 51.6° | 60.0° |
| CAM | CAL | HAL | HALA | 117.8° | 120.0° |
| CAL | CAM | HAM | HAMA | 121.2° | 120.0° |
| CAL | CAM | CAN | HAN | 23.9° | 60.0° |
| CAL | CAM | CAN | HANA | 95.3° | 60.0° |
| CAM | CAN | CAO | HAN | 120.4° | 119.9° |
| CAM | CAN | CAO | HANA | 120.4° | 120.0° |
| CAM | CAN | CAO | CAQ | 144.8° | 180.0° |
| CAN | CAM | CAL | HAL | 144.2° | 60.0° |
| CAN | CAM | CAL | HALA | 25.6° | 60.0° |
| CAN | CAM | HAM | HAMA | 121.2° | 120.1° |
| CAM | CAN | HAN | HANA | 118.8° | 120.1° |
| CAM | CAN | CAO | HAO | 25.3° | 60.0° |
| CAM | CAN | CAO | HAOA | 95.8° | 60.0° |
| CAN | CAO | CAQ | HAO | 119.4° | 120.0° |
| CAN | CAO | CAQ | HAOA | 119.4° | 120.0° |
| CAO | CAN | CAM | HAM | 96.2° | 60.0° |
| CAO | CAN | CAM | HAMA | 24.7° | 60.1° |
| CAO | CAN | HAN | HANA | 118.8° | 120.0° |
| CAN | CAO | HAO | HAOA | 121.7° | 120.1° |
| CAO | CAQ | CAH | HAH | 1.0° | 0.3° |
| CAO | CAQ | CAJ | HAJ | 0.9° | 0.1° |
| CAQ | CAO | CAN | HAN | 94.9° | 60.1° |
| CAQ | CAO | CAN | HANA | 24.3° | 60.0° |
| CAQ | CAO | HAO | HAOA | 121.7° | 119.9° |
| CAS | OAP | CAT | CAR | 86.9° | 173.7° |
| OAP | CAS | CAF | HAF | 1.8° | 0.1° |
| OAP | CAS | CAG | HAG | 1.3° | 0.0° |
| OAP | CAT | CAI | HAI | 0.5° | 0.0° |
| CAT | CAR | OAB | HOAB | 4.5° | 90.0° |
| CAR | CAT | CAI | HAI | 172.7° | 180.0° |
| CAT | CAR | CAJ | HAJ | 174.3° | 179.9° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAK | HAK | 59.8° | 180.0° |
| HAA | CAA | CAK | HAKA | 59.8° | 60.0° |
| HAAA | CAA | CAK | HAK | 60.2° | 60.0° |
| HAAA | CAA | CAK | HAKA | 179.8° | 60.0° |
| HAAB | CAA | CAK | HAK | 179.8° | 60.0° |
| HAAB | CAA | CAK | HAKA | 60.2° | 180.0° |
| HAC | CAC | CAD | HAD | 1.4° | 0.4° |
| HAC | CAC | CAE | HAE | 1.0° | 0.3° |
| HAD | CAD | CAF | HAF | 0.8° | 0.0° |
| HAE | CAE | CAG | HAG | 0.0° | 0.1° |
| HAH | CAH | CAI | HAI | 5.1° | 0.2° |
| HAK | CAK | CAL | HAL | 171.3° | 180.0° |
| HAK | CAK | CAL | HALA | 52.7° | 60.0° |
| HAKA | CAK | CAL | HAL | 69.1° | 60.0° |
| HAKA | CAK | CAL | HALA | 172.3° | 180.0° |
| HAL | CAL | CAM | HAM | 96.2° | 180.0° |
| HAL | CAL | CAM | HAMA | 24.6° | 60.0° |
| HALA | CAL | CAM | HAM | 145.3° | 60.0° |
| HALA | CAL | CAM | HAMA | 93.9° | 180.0° |
| HAM | CAM | CAN | HAN | 143.4° | 180.0° |
| HAM | CAM | CAN | HANA | 24.2° | 59.9° |
| HAMA | CAM | CAN | HAN | 95.7° | 59.9° |
| HAMA | CAM | CAN | HANA | 145.1° | 180.0° |
| HAN | CAN | CAO | HAO | 145.7° | 180.0° |
| HAN | CAN | CAO | HAOA | 24.6° | 59.9° |
| HANA | CAN | CAO | HAO | 95.1° | 60.0° |
| HANA | CAN | CAO | HAOA | 143.8° | 180.0° |
