PXX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAM | sing | 1.51Å | 1.52Å | |
| CAM | OAB | doub | 1.21Å | 1.23Å | |
| CAM | NAL | sing | 1.35Å | 1.35Å | |
| NAL | CAN | sing | 1.40Å | 1.35Å | |
| CAN | CAP | doub | 1.46Å | 1.40Å | Aromatic |
| CAN | CAI | sing | 1.36Å | 1.40Å | Aromatic |
| CAP | CAH | sing | 1.40Å | 1.39Å | Aromatic |
| CAP | CAR | sing | 1.41Å | 1.41Å | Aromatic |
| CAH | CAD | doub | 1.37Å | 1.39Å | Aromatic |
| CAD | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | NAK | doub | 1.31Å | 1.33Å | Aromatic |
| NAK | CAR | sing | 1.33Å | 1.35Å | Aromatic |
| CAR | CAQ | doub | 1.47Å | 1.40Å | Aromatic |
| CAQ | NAJ | sing | 1.33Å | 1.35Å | Aromatic |
| CAQ | CAO | sing | 1.41Å | 1.40Å | Aromatic |
| NAJ | CAE | doub | 1.31Å | 1.33Å | Aromatic |
| CAE | CAC | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | CAG | doub | 1.37Å | 1.39Å | Aromatic |
| CAG | CAO | sing | 1.41Å | 1.40Å | Aromatic |
| CAO | CAI | doub | 1.41Å | 1.39Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| NAL | HNAL | sing | 0.97Å | 1.00Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAM | OAB | 118.6° | 120.0° |
| CAA | CAM | NAL | 117.4° | 120.0° |
| CAM | CAA | HAA | 109.5° | 109.5° |
| CAM | CAA | HAAA | 109.4° | 109.4° |
| CAM | CAA | HAAB | 109.5° | 109.5° |
| OAB | CAM | NAL | 124.0° | 120.0° |
| CAM | NAL | CAN | 116.6° | 120.0° |
| CAM | NAL | HNAL | 121.7° | 120.0° |
| NAL | CAN | CAP | 120.1° | 119.8° |
| NAL | CAN | CAI | 120.2° | 119.8° |
| CAN | NAL | HNAL | 121.7° | 120.0° |
| CAP | CAN | CAI | 119.7° | 120.4° |
| CAN | CAP | CAH | 120.9° | 121.3° |
| CAN | CAP | CAR | 120.1° | 119.7° |
| CAN | CAI | CAO | 120.3° | 121.3° |
| CAN | CAI | HAI | 119.9° | 119.3° |
| CAH | CAP | CAR | 119.0° | 119.0° |
| CAP | CAH | CAD | 118.0° | 118.2° |
| CAP | CAH | HAH | 121.0° | 120.9° |
| CAP | CAR | NAK | 121.2° | 120.1° |
| CAP | CAR | CAQ | 119.8° | 118.6° |
| CAH | CAD | CAF | 120.3° | 119.8° |
| CAD | CAH | HAH | 121.0° | 120.9° |
| CAH | CAD | HAD | 119.9° | 120.1° |
| CAD | CAF | NAK | 120.9° | 121.6° |
| CAF | CAD | HAD | 119.8° | 120.1° |
| CAD | CAF | HAF | 119.5° | 119.2° |
| CAF | NAK | CAR | 120.6° | 121.4° |
| NAK | CAF | HAF | 119.6° | 119.2° |
| NAK | CAR | CAQ | 119.0° | 121.3° |
| CAR | CAQ | NAJ | 120.0° | 120.7° |
| CAR | CAQ | CAO | 119.9° | 119.1° |
| NAJ | CAQ | CAO | 120.1° | 120.2° |
| CAQ | NAJ | CAE | 121.1° | 121.5° |
| CAQ | CAO | CAG | 119.6° | 118.7° |
| CAQ | CAO | CAI | 120.2° | 120.8° |
| NAJ | CAE | CAC | 121.5° | 121.4° |
| NAJ | CAE | HAE | 119.3° | 119.3° |
| CAE | CAC | CAG | 119.3° | 119.9° |
| CAC | CAE | HAE | 119.3° | 119.3° |
| CAE | CAC | HAC | 120.4° | 120.0° |
| CAC | CAG | CAO | 118.5° | 118.3° |
| CAG | CAC | HAC | 120.4° | 120.1° |
| CAC | CAG | HAG | 120.8° | 120.8° |
| CAG | CAO | CAI | 120.2° | 120.5° |
| CAO | CAG | HAG | 120.8° | 120.9° |
| CAO | CAI | HAI | 119.8° | 119.4° |
| HAA | CAA | HAAA | 109.5° | 109.4° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAM | OAB | NAL | 178.9° | 179.9° |
| CAA | CAM | NAL | CAN | 178.4° | 175.4° |
| CAM | CAA | HAA | HAAA | 120.0° | 119.9° |
| CAM | CAA | HAA | HAAB | 120.0° | 120.1° |
| CAM | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAM | NAL | HNAL | 1.6° | 4.6° |
| OAB | CAM | NAL | CAN | 0.6° | 4.5° |
| OAB | CAM | CAA | HAA | 57.6° | 90.0° |
| OAB | CAM | CAA | HAAA | 177.6° | 150.1° |
| OAB | CAM | CAA | HAAB | 62.4° | 30.1° |
| OAB | CAM | NAL | HNAL | 179.4° | 175.5° |
| CAM | NAL | CAN | HNAL | 180.0° | 180.0° |
| CAM | NAL | CAN | CAP | 95.0° | 144.8° |
| CAM | NAL | CAN | CAI | 81.7° | 35.0° |
| NAL | CAM | CAA | HAA | 121.4° | 89.9° |
| NAL | CAM | CAA | HAAA | 1.4° | 30.0° |
| NAL | CAM | CAA | HAAB | 118.6° | 150.0° |
| NAL | CAN | CAP | CAI | 176.6° | 179.8° |
| NAL | CAN | CAP | CAH | 2.4° | 0.0° |
| NAL | CAN | CAP | CAR | 178.2° | 180.0° |
| NAL | CAN | CAI | CAO | 178.1° | 179.8° |
| NAL | CAN | CAI | HAI | 1.9° | 0.0° |
| CAN | CAP | CAH | CAR | 179.4° | 180.0° |
| CAN | CAP | CAH | CAD | 179.6° | 180.0° |
| CAN | CAP | CAR | NAK | 179.6° | 180.0° |
| CAN | CAP | CAR | CAQ | 0.8° | 0.0° |
| CAP | CAN | CAI | CAO | 1.4° | 0.5° |
| CAP | CAN | NAL | HNAL | 85.1° | 35.2° |
| CAN | CAP | CAH | HAH | 0.4° | 0.1° |
| CAP | CAN | CAI | HAI | 178.6° | 179.8° |
| CAI | CAN | CAP | CAH | 179.0° | 179.7° |
| CAI | CAN | CAP | CAR | 1.6° | 0.2° |
| CAN | CAI | CAO | CAQ | 0.4° | 0.5° |
| CAN | CAI | CAO | CAG | 178.9° | 179.7° |
| CAN | CAI | CAO | HAI | 180.0° | 179.7° |
| CAI | CAN | NAL | HNAL | 98.3° | 145.0° |
| CAP | CAH | CAD | HAH | 180.0° | 179.9° |
| CAP | CAH | CAD | CAF | 0.4° | 0.0° |
| CAH | CAP | CAR | NAK | 0.3° | 0.0° |
| CAH | CAP | CAR | CAQ | 179.9° | 180.0° |
| CAP | CAH | CAD | HAD | 179.7° | 179.9° |
| CAR | CAP | CAH | CAD | 0.2° | 0.0° |
| CAP | CAR | NAK | CAF | 0.4° | 0.1° |
| CAP | CAR | NAK | CAQ | 179.6° | 180.0° |
| CAP | CAR | CAQ | NAJ | 179.6° | 180.0° |
| CAP | CAR | CAQ | CAO | 0.3° | 0.0° |
| CAR | CAP | CAH | HAH | 179.7° | 179.9° |
| CAH | CAD | CAF | HAD | 180.0° | 180.0° |
| CAH | CAD | CAF | NAK | 0.5° | 0.0° |
| CAH | CAD | CAF | HAF | 179.5° | 180.0° |
| CAD | CAF | NAK | HAF | 180.0° | 179.9° |
| CAD | CAF | NAK | CAR | 0.5° | 0.1° |
| CAF | CAD | CAH | HAH | 179.6° | 179.9° |
| CAF | NAK | CAR | CAQ | 180.0° | 179.9° |
| NAK | CAF | CAD | HAD | 179.5° | 179.9° |
| NAK | CAR | CAQ | NAJ | 0.8° | 0.1° |
| NAK | CAR | CAQ | CAO | 179.4° | 180.0° |
| CAR | NAK | CAF | HAF | 179.5° | 180.0° |
| CAR | CAQ | NAJ | CAO | 179.8° | 179.9° |
| CAR | CAQ | NAJ | CAE | 179.4° | 180.0° |
| CAR | CAQ | CAO | CAG | 179.7° | 180.0° |
| CAR | CAQ | CAO | CAI | 0.4° | 0.3° |
| CAQ | NAJ | CAE | CAC | 1.2° | 0.0° |
| NAJ | CAQ | CAO | CAG | 0.1° | 0.0° |
| NAJ | CAQ | CAO | CAI | 179.4° | 179.8° |
| CAQ | NAJ | CAE | HAE | 178.8° | 180.0° |
| CAO | CAQ | NAJ | CAE | 0.7° | 0.0° |
| CAQ | CAO | CAG | CAC | 0.5° | 0.0° |
| CAQ | CAO | CAG | CAI | 179.3° | 179.8° |
| CAQ | CAO | CAG | HAG | 179.5° | 180.0° |
| CAQ | CAO | CAI | HAI | 179.6° | 179.8° |
| NAJ | CAE | CAC | HAE | 180.0° | 180.0° |
| NAJ | CAE | CAC | CAG | 0.7° | 0.0° |
| NAJ | CAE | CAC | HAC | 179.3° | 180.0° |
| CAE | CAC | CAG | HAC | 180.0° | 180.0° |
| CAE | CAC | CAG | CAO | 0.1° | 0.0° |
| CAE | CAC | CAG | HAG | 179.9° | 180.0° |
| CAC | CAG | CAO | HAG | 180.0° | 179.9° |
| CAC | CAG | CAO | CAI | 179.8° | 179.8° |
| CAG | CAC | CAE | HAE | 179.3° | 180.0° |
| CAO | CAG | CAC | HAC | 179.9° | 180.0° |
| CAG | CAO | CAI | HAI | 1.1° | 0.0° |
| CAI | CAO | CAG | HAG | 0.2° | 0.2° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAH | CAH | CAD | HAD | 0.4° | 0.0° |
| HAD | CAD | CAF | HAF | 0.5° | 0.0° |
| HAE | CAE | CAC | HAC | 0.7° | 0.0° |
| HAC | CAC | CAG | HAG | 0.1° | 0.0° |
