5PW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAK | sing | 1.51Å | 1.53Å | |
| OAB | CAK | doub | 1.21Å | 1.23Å | |
| OAC | NAP | sing | 1.22Å | 1.46Å | |
| OAD | NAP | doub | 1.22Å | 1.44Å | |
| CAE | CAF | doub | 1.37Å | 1.40Å | Aromatic |
| CAE | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | CAN | sing | 1.41Å | 1.34Å | Aromatic |
| CAG | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAO | sing | 1.39Å | 1.33Å | Aromatic |
| NAH | CAM | doub | 1.29Å | 1.34Å | Aromatic |
| NAH | CAN | sing | 1.35Å | 1.35Å | Aromatic |
| NAI | CAK | sing | 1.35Å | 1.36Å | |
| NAI | CAM | sing | 1.39Å | 1.34Å | |
| SAJ | CAM | sing | 1.76Å | 1.58Å | Aromatic |
| SAJ | CAO | sing | 1.76Å | 1.62Å | Aromatic |
| CAL | NAP | sing | 1.48Å | 1.35Å | |
| CAN | CAO | doub | 1.40Å | 1.35Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| NAI | HAI | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAK | OAB | 118.0° | 120.0° |
| CAA | CAK | NAI | 121.1° | 120.0° |
| CAK | CAA | HAA | 109.5° | 109.5° |
| CAK | CAA | HAAA | 109.4° | 109.5° |
| CAK | CAA | HAAB | 109.5° | 109.5° |
| OAB | CAK | NAI | 120.8° | 120.0° |
| OAC | NAP | OAD | 120.8° | 120.0° |
| OAC | NAP | CAL | 119.1° | 120.0° |
| OAD | NAP | CAL | 120.1° | 120.0° |
| CAF | CAE | CAL | 119.0° | 120.6° |
| CAE | CAF | CAN | 121.4° | 120.5° |
| CAF | CAE | HAE | 120.5° | 119.7° |
| CAE | CAF | HAF | 119.3° | 119.7° |
| CAE | CAL | CAG | 117.3° | 120.0° |
| CAE | CAL | NAP | 123.0° | 120.0° |
| CAL | CAE | HAE | 120.5° | 119.7° |
| CAF | CAN | NAH | 129.1° | 128.8° |
| CAF | CAN | CAO | 118.9° | 118.3° |
| CAN | CAF | HAF | 119.3° | 119.8° |
| CAL | CAG | CAO | 121.1° | 120.2° |
| CAG | CAL | NAP | 119.7° | 120.0° |
| CAL | CAG | HAG | 119.5° | 119.9° |
| CAG | CAO | SAJ | 129.7° | 131.2° |
| CAG | CAO | CAN | 122.4° | 120.4° |
| CAO | CAG | HAG | 119.5° | 120.0° |
| CAM | NAH | CAN | 114.4° | 117.9° |
| NAH | CAM | NAI | 123.0° | 124.8° |
| NAH | CAM | SAJ | 108.2° | 110.4° |
| NAH | CAN | CAO | 112.0° | 112.9° |
| CAK | NAI | CAM | 124.7° | 120.0° |
| CAK | NAI | HAI | 117.7° | 120.0° |
| NAI | CAM | SAJ | 128.7° | 124.8° |
| CAM | NAI | HAI | 117.7° | 120.0° |
| CAM | SAJ | CAO | 97.4° | 90.4° |
| SAJ | CAO | CAN | 107.9° | 108.4° |
| HAA | CAA | HAAA | 109.5° | 109.4° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAK | OAB | NAI | 179.5° | 180.0° |
| CAA | CAK | NAI | CAM | 1.0° | 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 | NAI | HAI | 178.9° | 0.0° |
| OAB | CAK | NAI | CAM | 179.5° | 0.0° |
| OAB | CAK | CAA | HAA | 0.0° | 90.0° |
| OAB | CAK | CAA | HAAA | 120.0° | 150.0° |
| OAB | CAK | CAA | HAAB | 120.0° | 30.0° |
| OAB | CAK | NAI | HAI | 0.5° | 180.0° |
| OAC | NAP | OAD | CAL | 178.1° | 180.0° |
| OAC | NAP | CAL | CAE | 160.9° | 0.0° |
| OAC | NAP | CAL | CAG | 19.1° | 180.0° |
| OAD | NAP | CAL | CAE | 21.0° | 180.0° |
| OAD | NAP | CAL | CAG | 159.0° | 0.0° |
| CAF | CAE | CAL | HAE | 180.0° | 179.8° |
| CAE | CAF | CAN | HAF | 180.0° | 179.9° |
| CAF | CAE | CAL | CAG | 0.0° | 0.0° |
| CAE | CAF | CAN | NAH | 179.8° | 180.0° |
| CAF | CAE | CAL | NAP | 179.9° | 180.0° |
| CAE | CAF | CAN | CAO | 0.1° | 0.0° |
| CAL | CAE | CAF | CAN | 0.0° | 0.0° |
| CAE | CAL | CAG | NAP | 179.9° | 180.0° |
| CAE | CAL | CAG | CAO | 0.1° | 0.0° |
| CAL | CAE | CAF | HAF | 180.0° | 179.9° |
| CAE | CAL | CAG | HAG | 179.9° | 180.0° |
| CAF | CAN | CAO | CAG | 0.1° | 0.0° |
| CAF | CAN | NAH | CAM | 180.0° | 180.0° |
| CAF | CAN | NAH | CAO | 179.9° | 180.0° |
| CAF | CAN | CAO | SAJ | 179.9° | 180.0° |
| CAN | CAF | CAE | HAE | 180.0° | 179.8° |
| CAL | CAG | CAO | HAG | 180.0° | 180.0° |
| CAL | CAG | CAO | SAJ | 179.9° | 180.0° |
| CAL | CAG | CAO | CAN | 0.1° | 0.0° |
| CAG | CAL | CAE | HAE | 180.0° | 179.8° |
| CAG | CAO | CAN | NAH | 179.8° | 180.0° |
| CAG | CAO | SAJ | CAM | 179.8° | 180.0° |
| CAG | CAO | SAJ | CAN | 180.0° | 180.0° |
| CAO | CAG | CAL | NAP | 180.0° | 180.0° |
| NAH | CAM | NAI | CAK | 174.6° | 0.0° |
| NAH | CAM | NAI | SAJ | 179.9° | 180.0° |
| NAH | CAM | SAJ | CAO | 0.1° | 0.0° |
| CAM | NAH | CAN | CAO | 0.2° | 0.0° |
| NAH | CAM | NAI | HAI | 5.5° | 180.0° |
| CAN | NAH | CAM | NAI | 180.0° | 180.0° |
| CAN | NAH | CAM | SAJ | 0.1° | 0.0° |
| NAH | CAN | CAO | SAJ | 0.2° | 0.0° |
| NAH | CAN | CAF | HAF | 0.2° | 0.1° |
| CAK | NAI | CAM | HAI | 180.0° | 180.0° |
| CAK | NAI | CAM | SAJ | 5.3° | 180.0° |
| NAI | CAK | CAA | HAA | 179.5° | 90.0° |
| NAI | CAK | CAA | HAAA | 60.5° | 30.0° |
| NAI | CAK | CAA | HAAB | 59.5° | 150.0° |
| NAI | CAM | SAJ | CAO | 179.9° | 180.0° |
| CAM | SAJ | CAO | CAN | 0.1° | 0.0° |
| SAJ | CAM | NAI | HAI | 174.6° | 0.0° |
| SAJ | CAO | CAG | HAG | 0.1° | 0.0° |
| NAP | CAL | CAE | HAE | 0.1° | 0.2° |
| NAP | CAL | CAG | HAG | 0.0° | 0.0° |
| CAO | CAN | CAF | HAF | 179.9° | 179.9° |
| CAN | CAO | CAG | HAG | 179.9° | 180.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAE | CAE | CAF | HAF | 0.0° | 0.2° |
