PXC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAM | sing | 1.35Å | 1.25Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| OAB | CAN | doub | 1.22Å | 1.27Å | |
| OAC | CAM | doub | 1.21Å | 1.29Å | |
| CAN | OAD | sing | 1.35Å | 1.25Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAG | CAE | doub | 1.39Å | 1.41Å | Aromatic |
| CAE | CAI | sing | 1.36Å | 1.37Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAJ | CAF | doub | 1.36Å | 1.40Å | Aromatic |
| CAF | CAH | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAO | CAG | sing | 1.39Å | 1.38Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAQ | CAI | doub | 1.41Å | 1.41Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAR | sing | 1.41Å | 1.41Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| NAK | CAR | doub | 1.33Å | 1.36Å | Aromatic |
| NAK | CAS | sing | 1.32Å | 1.35Å | Aromatic |
| CAT | NAL | doub | 1.32Å | 1.33Å | Aromatic |
| CAQ | NAL | sing | 1.33Å | 1.36Å | Aromatic |
| CAM | CAO | sing | 1.47Å | 1.53Å | |
| CAP | CAN | sing | 1.47Å | 1.47Å | |
| CAO | CAS | doub | 1.47Å | 1.38Å | Aromatic |
| CAT | CAP | sing | 1.47Å | 1.41Å | Aromatic |
| CAS | CAQ | sing | 1.47Å | 1.43Å | Aromatic |
| CAR | CAT | sing | 1.47Å | 1.39Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | OAA | HOAA | 109.5° | 117.0° |
| OAA | CAM | OAC | 123.1° | 120.0° |
| OAA | CAM | CAO | 120.6° | 120.0° |
| OAB | CAN | OAD | 127.3° | 120.0° |
| OAB | CAN | CAP | 114.7° | 120.0° |
| OAC | CAM | CAO | 115.8° | 120.0° |
| CAN | OAD | HOAD | 109.5° | 117.0° |
| OAD | CAN | CAP | 117.5° | 120.0° |
| CAG | CAE | CAI | 118.3° | 122.6° |
| CAG | CAE | HAE | 120.9° | 118.7° |
| CAE | CAG | CAO | 126.0° | 121.3° |
| CAE | CAG | HAG | 117.0° | 119.4° |
| CAI | CAE | HAE | 120.9° | 118.7° |
| CAE | CAI | CAQ | 117.2° | 120.6° |
| CAE | CAI | HAI | 121.4° | 119.8° |
| CAJ | CAF | CAH | 118.0° | 122.5° |
| CAJ | CAF | HAF | 121.1° | 118.7° |
| CAF | CAJ | CAR | 124.3° | 120.6° |
| CAF | CAJ | HAJ | 117.9° | 119.7° |
| CAH | CAF | HAF | 121.0° | 118.8° |
| CAF | CAH | CAP | 118.9° | 121.3° |
| CAF | CAH | HAH | 120.6° | 119.4° |
| CAO | CAG | HAG | 117.0° | 119.4° |
| CAG | CAO | CAM | 119.7° | 120.7° |
| CAG | CAO | CAS | 115.9° | 118.6° |
| CAP | CAH | HAH | 120.6° | 119.3° |
| CAH | CAP | CAN | 114.7° | 120.7° |
| CAH | CAP | CAT | 122.2° | 118.6° |
| CAQ | CAI | HAI | 121.4° | 119.7° |
| CAI | CAQ | NAL | 117.6° | 121.2° |
| CAI | CAQ | CAS | 123.1° | 118.7° |
| CAR | CAJ | HAJ | 117.8° | 119.7° |
| CAJ | CAR | NAK | 121.0° | 121.1° |
| CAJ | CAR | CAT | 116.4° | 118.8° |
| CAR | NAK | CAS | 119.1° | 119.5° |
| NAK | CAR | CAT | 122.5° | 120.1° |
| NAK | CAS | CAO | 121.6° | 121.3° |
| NAK | CAS | CAQ | 118.9° | 120.5° |
| CAT | NAL | CAQ | 122.3° | 119.5° |
| NAL | CAT | CAP | 121.9° | 121.3° |
| NAL | CAT | CAR | 117.9° | 120.5° |
| NAL | CAQ | CAS | 119.3° | 120.1° |
| CAM | CAO | CAS | 124.2° | 120.7° |
| CAN | CAP | CAT | 122.8° | 120.7° |
| CAO | CAS | CAQ | 119.5° | 118.2° |
| CAP | CAT | CAR | 120.2° | 118.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAM | OAC | CAO | 171.0° | 180.0° |
| OAA | CAM | CAO | CAG | 46.1° | 0.0° |
| OAA | CAM | CAO | CAS | 139.9° | 179.9° |
| HOAA | OAA | CAM | OAC | 0.0° | 0.0° |
| HOAA | OAA | CAM | CAO | 170.6° | 180.0° |
| OAB | CAN | OAD | CAP | 171.7° | 180.0° |
| OAB | CAN | OAD | HOAD | 0.0° | 0.0° |
| OAB | CAN | CAP | CAH | 29.9° | 180.0° |
| OAB | CAN | CAP | CAT | 144.9° | 0.4° |
| OAC | CAM | CAO | CAG | 125.1° | 180.0° |
| OAC | CAM | CAO | CAS | 48.9° | 0.0° |
| OAD | CAN | CAP | CAH | 157.4° | 0.0° |
| OAD | CAN | CAP | CAT | 27.8° | 179.6° |
| HOAD | OAD | CAN | CAP | 171.7° | 180.0° |
| CAG | CAE | CAI | HAE | 180.0° | 179.6° |
| CAE | CAG | CAO | HAG | 180.0° | 180.0° |
| CAG | CAE | CAI | CAQ | 1.2° | 0.4° |
| CAG | CAE | CAI | HAI | 178.8° | 179.7° |
| CAE | CAG | CAO | CAM | 175.9° | 180.0° |
| CAE | CAG | CAO | CAS | 1.5° | 0.1° |
| CAI | CAE | CAG | CAO | 1.6° | 0.1° |
| CAI | CAE | CAG | HAG | 178.4° | 179.9° |
| CAE | CAI | CAQ | HAI | 180.0° | 179.9° |
| CAE | CAI | CAQ | NAL | 179.9° | 180.0° |
| CAE | CAI | CAQ | CAS | 0.9° | 0.7° |
| HAE | CAE | CAG | CAO | 178.4° | 179.7° |
| HAE | CAE | CAG | HAG | 1.6° | 0.3° |
| HAE | CAE | CAI | CAQ | 178.8° | 180.0° |
| HAE | CAE | CAI | HAI | 1.2° | 0.0° |
| CAJ | CAF | CAH | HAF | 180.0° | 179.2° |
| CAJ | CAF | CAH | CAP | 1.2° | 0.8° |
| CAJ | CAF | CAH | HAH | 178.8° | 179.1° |
| CAF | CAJ | CAR | HAJ | 180.0° | 180.0° |
| CAF | CAJ | CAR | NAK | 178.3° | 180.0° |
| CAF | CAJ | CAR | CAT | 0.6° | 0.4° |
| CAF | CAH | CAP | HAH | 180.0° | 179.9° |
| CAH | CAF | CAJ | CAR | 0.6° | 0.8° |
| CAH | CAF | CAJ | HAJ | 179.4° | 179.2° |
| CAF | CAH | CAP | CAN | 176.6° | 180.0° |
| CAF | CAH | CAP | CAT | 1.8° | 0.4° |
| HAF | CAF | CAH | CAP | 178.8° | 180.0° |
| HAF | CAF | CAH | HAH | 1.2° | 0.1° |
| HAF | CAF | CAJ | CAR | 179.4° | 180.0° |
| HAF | CAF | CAJ | HAJ | 0.6° | 0.0° |
| CAG | CAO | CAS | NAK | 179.0° | 179.9° |
| CAG | CAO | CAM | CAS | 174.0° | 179.9° |
| CAG | CAO | CAS | CAQ | 1.1° | 0.3° |
| HAG | CAG | CAO | CAM | 4.0° | 0.0° |
| HAG | CAG | CAO | CAS | 178.5° | 179.9° |
| CAH | CAP | CAT | NAL | 179.9° | 179.8° |
| CAH | CAP | CAN | CAT | 174.8° | 179.6° |
| CAH | CAP | CAT | CAR | 1.8° | 0.0° |
| HAH | CAH | CAP | CAN | 3.3° | 0.1° |
| HAH | CAH | CAP | CAT | 178.2° | 179.5° |
| CAI | CAQ | CAS | NAK | 179.2° | 179.8° |
| CAI | CAQ | NAL | CAT | 178.5° | 180.0° |
| CAI | CAQ | NAL | CAS | 179.0° | 179.3° |
| CAI | CAQ | CAS | CAO | 0.9° | 0.6° |
| HAI | CAI | CAQ | NAL | 0.1° | 0.1° |
| HAI | CAI | CAQ | CAS | 179.1° | 179.4° |
| CAJ | CAR | NAK | CAT | 178.8° | 179.6° |
| CAJ | CAR | NAK | CAS | 179.8° | 180.0° |
| CAJ | CAR | CAT | NAL | 179.5° | 179.7° |
| CAJ | CAR | CAT | CAP | 1.1° | 0.0° |
| HAJ | CAJ | CAR | NAK | 1.7° | 0.0° |
| HAJ | CAJ | CAR | CAT | 179.4° | 179.6° |
| NAK | CAR | CAT | NAL | 0.6° | 0.6° |
| CAR | NAK | CAS | CAO | 178.9° | 179.9° |
| NAK | CAR | CAT | CAP | 177.8° | 179.6° |
| CAR | NAK | CAS | CAQ | 1.1° | 0.3° |
| NAK | CAS | CAQ | NAL | 0.2° | 0.4° |
| NAK | CAS | CAO | CAM | 4.8° | 0.2° |
| NAK | CAS | CAO | CAQ | 179.9° | 179.6° |
| CAS | NAK | CAR | CAT | 1.4° | 0.4° |
| NAL | CAT | CAP | CAN | 5.5° | 0.7° |
| NAL | CAT | CAP | CAR | 178.3° | 179.7° |
| CAT | NAL | CAQ | CAS | 0.5° | 0.6° |
| NAL | CAQ | CAS | CAO | 179.8° | 180.0° |
| CAQ | NAL | CAT | CAP | 178.7° | 179.5° |
| CAQ | NAL | CAT | CAR | 0.4° | 0.7° |
| CAM | CAO | CAS | CAQ | 175.3° | 179.7° |
| CAN | CAP | CAT | CAR | 176.2° | 179.6° |
