6PP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAI | sing | 1.53Å | 1.53Å | |
| CAB | CAK | sing | 1.51Å | 1.53Å | |
| OAC | CAL | sing | 1.36Å | 1.37Å | |
| OAD | CAM | sing | 1.36Å | 1.36Å | |
| CAE | CAJ | sing | 1.51Å | 1.53Å | |
| CAE | CAK | doub | 1.31Å | 1.33Å | |
| CAF | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAK | sing | 1.51Å | 1.53Å | |
| CAJ | CAN | sing | 1.51Å | 1.38Å | |
| CAL | CAM | doub | 1.39Å | 1.38Å | Aromatic |
| CAM | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| 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 | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAI | CAK | 110.3° | 109.5° |
| CAI | CAA | HAA | 109.5° | 109.5° |
| CAI | CAA | HAAA | 109.5° | 109.4° |
| CAI | CAA | HAAB | 109.5° | 109.4° |
| CAA | CAI | HAI | 109.2° | 109.5° |
| CAA | CAI | HAIA | 109.2° | 109.5° |
| CAB | CAK | CAE | 116.9° | 120.0° |
| CAB | CAK | CAI | 113.2° | 120.0° |
| CAK | CAB | HAB | 109.5° | 109.5° |
| CAK | CAB | HABA | 109.5° | 109.5° |
| CAK | CAB | HABB | 109.4° | 109.5° |
| OAC | CAL | CAG | 122.6° | 120.1° |
| OAC | CAL | CAM | 118.8° | 120.1° |
| CAL | OAC | HOAC | 109.5° | 114.0° |
| OAD | CAM | CAL | 118.9° | 120.1° |
| OAD | CAM | CAN | 118.2° | 120.0° |
| CAM | OAD | HOAD | 109.5° | 114.0° |
| CAJ | CAE | CAK | 114.1° | 120.0° |
| CAE | CAJ | CAN | 110.2° | 109.5° |
| CAJ | CAE | HAE | 122.9° | 120.0° |
| CAE | CAJ | HAJ | 109.2° | 109.4° |
| CAE | CAJ | HAJA | 109.2° | 109.5° |
| CAE | CAK | CAI | 118.3° | 120.0° |
| CAK | CAE | HAE | 122.9° | 120.0° |
| CAG | CAF | CAH | 121.8° | 120.1° |
| CAF | CAG | CAL | 119.4° | 120.0° |
| CAG | CAF | HAF | 119.1° | 119.9° |
| CAF | CAG | HAG | 120.3° | 120.0° |
| CAF | CAH | CAN | 119.1° | 120.2° |
| CAH | CAF | HAF | 119.1° | 120.0° |
| CAF | CAH | HAH | 120.5° | 119.9° |
| CAG | CAL | CAM | 118.2° | 119.8° |
| CAL | CAG | HAG | 120.3° | 119.9° |
| CAH | CAN | CAJ | 116.4° | 120.0° |
| CAH | CAN | CAM | 118.4° | 119.9° |
| CAN | CAH | HAH | 120.4° | 119.9° |
| CAK | CAI | HAI | 109.2° | 109.5° |
| CAK | CAI | HAIA | 109.2° | 109.4° |
| CAJ | CAN | CAM | 120.2° | 120.0° |
| CAN | CAJ | HAJ | 109.2° | 109.5° |
| CAN | CAJ | HAJA | 109.2° | 109.5° |
| CAL | CAM | CAN | 122.7° | 119.9° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAB | CAB | HABA | 109.4° | 109.4° |
| HAB | CAB | HABB | 109.5° | 109.4° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| HAI | CAI | HAIA | 109.8° | 109.4° |
| HAJ | CAJ | HAJA | 109.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAI | CAK | CAB | 72.0° | 85.9° |
| CAA | CAI | CAK | CAE | 70.3° | 94.1° |
| CAA | CAI | CAK | HAI | 120.0° | 120.0° |
| CAA | CAI | CAK | HAIA | 120.0° | 120.0° |
| CAI | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAI | CAA | HAA | HAAB | 120.0° | 119.9° |
| CAI | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAI | HAI | HAIA | 119.6° | 120.0° |
| CAB | CAK | CAE | CAJ | 159.8° | 173.3° |
| CAB | CAK | CAE | CAI | 140.9° | 180.0° |
| CAK | CAB | HAB | HABA | 120.0° | 120.0° |
| CAK | CAB | HAB | HABB | 120.0° | 120.0° |
| CAK | CAB | HABA | HABB | 120.0° | 120.1° |
| CAB | CAK | CAE | HAE | 20.2° | 6.6° |
| CAB | CAK | CAI | HAI | 48.0° | 34.1° |
| CAB | CAK | CAI | HAIA | 168.0° | 154.1° |
| OAC | CAL | CAM | OAD | 5.9° | 0.0° |
| OAC | CAL | CAG | CAF | 172.1° | 180.0° |
| OAC | CAL | CAG | CAM | 171.7° | 180.0° |
| OAC | CAL | CAM | CAN | 177.4° | 180.0° |
| OAC | CAL | CAG | HAG | 7.8° | 0.1° |
| OAD | CAM | CAL | CAG | 177.9° | 180.0° |
| OAD | CAM | CAN | CAH | 178.1° | 180.0° |
| OAD | CAM | CAN | CAJ | 27.5° | 0.0° |
| OAD | CAM | CAL | CAN | 176.6° | 180.0° |
| CAJ | CAE | CAK | HAE | 180.0° | 180.0° |
| CAE | CAJ | CAN | CAH | 129.3° | 95.0° |
| CAJ | CAE | CAK | CAI | 18.9° | 6.7° |
| CAE | CAJ | CAN | HAJ | 120.0° | 120.0° |
| CAE | CAJ | CAN | HAJA | 120.0° | 120.0° |
| CAE | CAJ | CAN | CAM | 75.9° | 85.0° |
| CAE | CAJ | HAJ | HAJA | 119.7° | 120.0° |
| CAK | CAE | CAJ | CAN | 165.5° | 126.6° |
| CAE | CAK | CAB | HAB | 180.0° | 90.0° |
| CAE | CAK | CAB | HABA | 60.0° | 150.0° |
| CAE | CAK | CAB | HABB | 60.0° | 29.9° |
| CAE | CAK | CAI | HAI | 169.7° | 145.9° |
| CAE | CAK | CAI | HAIA | 49.7° | 25.9° |
| CAK | CAE | CAJ | HAJ | 74.5° | 113.3° |
| CAK | CAE | CAJ | HAJA | 45.4° | 6.7° |
| CAG | CAF | CAH | HAF | 180.0° | 179.7° |
| CAF | CAG | CAL | HAG | 180.0° | 180.0° |
| CAG | CAF | CAH | CAN | 5.0° | 0.0° |
| CAF | CAG | CAL | CAM | 0.4° | 0.0° |
| CAG | CAF | CAH | HAH | 175.0° | 180.0° |
| CAH | CAF | CAG | CAL | 4.7° | 0.0° |
| CAF | CAH | CAN | HAH | 180.0° | 180.0° |
| CAF | CAH | CAN | CAJ | 155.4° | 180.0° |
| CAF | CAH | CAN | CAM | 0.1° | 0.0° |
| CAH | CAF | CAG | HAG | 175.3° | 180.0° |
| CAG | CAL | CAM | CAN | 5.4° | 0.0° |
| CAG | CAL | OAC | HOAC | 180.0° | 90.1° |
| CAL | CAG | CAF | HAF | 175.3° | 179.7° |
| CAH | CAN | CAJ | CAM | 154.8° | 180.0° |
| CAH | CAN | CAM | CAL | 5.2° | 0.0° |
| CAN | CAH | CAF | HAF | 175.0° | 179.7° |
| CAH | CAN | CAJ | HAJ | 110.7° | 145.0° |
| CAH | CAN | CAJ | HAJA | 9.3° | 25.0° |
| CAK | CAI | CAA | HAA | 180.0° | 179.9° |
| CAK | CAI | CAA | HAAA | 60.0° | 60.0° |
| CAK | CAI | CAA | HAAB | 60.0° | 60.0° |
| CAI | CAK | CAB | HAB | 37.2° | 90.0° |
| CAI | CAK | CAB | HABA | 157.1° | 30.0° |
| CAI | CAK | CAB | HABB | 82.8° | 150.1° |
| CAI | CAK | CAE | HAE | 161.1° | 173.4° |
| CAK | CAI | HAI | HAIA | 119.7° | 119.9° |
| CAJ | CAN | CAM | CAL | 149.1° | 180.0° |
| CAN | CAJ | CAE | HAE | 14.6° | 53.3° |
| CAJ | CAN | CAH | HAH | 24.6° | 0.0° |
| CAN | CAJ | HAJ | HAJA | 119.7° | 120.0° |
| CAM | CAL | OAC | HOAC | 8.4° | 90.0° |
| CAL | CAM | OAD | HOAD | 180.0° | 89.9° |
| CAM | CAL | CAG | HAG | 179.5° | 180.0° |
| CAN | CAM | OAD | HOAD | 3.2° | 90.1° |
| CAM | CAN | CAH | HAH | 179.9° | 180.0° |
| CAM | CAN | CAJ | HAJ | 44.1° | 34.9° |
| CAM | CAN | CAJ | HAJA | 164.1° | 155.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAI | HAI | 60.0° | 60.0° |
| HAA | CAA | CAI | HAIA | 60.0° | 60.0° |
| HAAA | CAA | CAI | HAI | 60.0° | 60.1° |
| HAAA | CAA | CAI | HAIA | 180.0° | 180.0° |
| HAAB | CAA | CAI | HAI | 180.0° | 179.9° |
| HAAB | CAA | CAI | HAIA | 60.0° | 60.0° |
| HAB | CAB | HABA | HABB | 120.0° | 119.9° |
| HAE | CAE | CAJ | HAJ | 105.4° | 66.7° |
| HAE | CAE | CAJ | HAJA | 134.6° | 173.3° |
| HAF | CAF | CAG | HAG | 4.7° | 0.3° |
| HAF | CAF | CAH | HAH | 5.0° | 0.3° |
