4PL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAI | sing | 1.51Å | 1.54Å | |
| OAB | CAH | doub | 1.21Å | 1.23Å | |
| OAC | CAK | sing | 1.36Å | 1.36Å | |
| CAD | NAF | doub | 1.32Å | 1.33Å | Aromatic |
| CAD | CAJ | sing | 1.37Å | 1.39Å | Aromatic |
| CAE | OAG | sing | 1.45Å | 1.38Å | |
| CAE | CAJ | sing | 1.51Å | 1.34Å | |
| NAF | CAI | sing | 1.32Å | 1.35Å | Aromatic |
| OAG | CAH | sing | 1.34Å | 1.36Å | |
| CAH | CAL | sing | 1.47Å | 1.38Å | |
| CAI | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CAK | CAL | sing | 1.40Å | 1.39Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAEA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAI | NAF | 119.3° | 119.6° |
| CAA | CAI | CAK | 120.7° | 119.5° |
| CAI | CAA | HAA | 109.5° | 109.5° |
| CAI | CAA | HAAA | 109.4° | 109.5° |
| CAI | CAA | HAAB | 109.5° | 109.4° |
| OAB | CAH | OAG | 125.3° | 125.0° |
| OAB | CAH | CAL | 125.5° | 124.9° |
| OAC | CAK | CAI | 121.6° | 120.8° |
| OAC | CAK | CAL | 119.6° | 120.7° |
| CAK | OAC | HOAC | 109.5° | 114.0° |
| NAF | CAD | CAJ | 120.7° | 120.7° |
| CAD | NAF | CAI | 121.9° | 122.2° |
| NAF | CAD | HAD | 119.6° | 119.7° |
| CAD | CAJ | CAE | 132.8° | 134.3° |
| CAD | CAJ | CAL | 118.8° | 119.5° |
| CAJ | CAD | HAD | 119.6° | 119.6° |
| OAG | CAE | CAJ | 109.5° | 106.4° |
| CAE | OAG | CAH | 106.5° | 109.1° |
| OAG | CAE | HAE | 109.4° | 110.1° |
| OAG | CAE | HAEA | 109.4° | 110.1° |
| CAE | CAJ | CAL | 108.4° | 106.2° |
| CAJ | CAE | HAE | 109.4° | 110.0° |
| CAJ | CAE | HAEA | 109.5° | 110.1° |
| NAF | CAI | CAK | 120.0° | 120.9° |
| OAG | CAH | CAL | 109.3° | 110.1° |
| CAH | CAL | CAJ | 106.3° | 108.2° |
| CAH | CAL | CAK | 133.9° | 133.8° |
| CAI | CAK | CAL | 118.8° | 118.6° |
| CAJ | CAL | CAK | 119.8° | 118.1° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| HAE | CAE | HAEA | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAI | CAK | OAC | 0.1° | 0.0° |
| CAA | CAI | NAF | CAD | 179.8° | 180.0° |
| CAA | CAI | NAF | CAK | 179.8° | 179.9° |
| CAA | CAI | CAK | CAL | 179.8° | 180.0° |
| CAI | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAI | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAI | CAA | HAAA | HAAB | 120.0° | 120.0° |
| OAB | CAH | OAG | CAE | 179.8° | 179.9° |
| OAB | CAH | OAG | CAL | 179.9° | 180.0° |
| OAB | CAH | CAL | CAJ | 179.7° | 180.0° |
| OAB | CAH | CAL | CAK | 0.1° | 0.0° |
| OAC | CAK | CAI | NAF | 179.9° | 179.9° |
| OAC | CAK | CAL | CAH | 0.4° | 0.1° |
| OAC | CAK | CAI | CAL | 179.9° | 180.0° |
| OAC | CAK | CAL | CAJ | 179.9° | 180.0° |
| NAF | CAD | CAJ | HAD | 180.0° | 179.8° |
| NAF | CAD | CAJ | CAE | 179.9° | 180.0° |
| CAD | NAF | CAI | CAK | 0.0° | 0.1° |
| NAF | CAD | CAJ | CAL | 0.3° | 0.0° |
| CAD | CAJ | CAE | OAG | 179.7° | 180.0° |
| CAD | CAJ | CAE | CAL | 179.9° | 180.0° |
| CAJ | CAD | NAF | CAI | 0.1° | 0.1° |
| CAD | CAJ | CAL | CAH | 179.5° | 180.0° |
| CAD | CAJ | CAL | CAK | 0.3° | 0.0° |
| CAD | CAJ | CAE | HAE | 60.3° | 60.8° |
| CAD | CAJ | CAE | HAEA | 59.7° | 60.8° |
| OAG | CAE | CAJ | HAE | 120.0° | 119.2° |
| OAG | CAE | CAJ | HAEA | 120.0° | 119.3° |
| CAE | OAG | CAH | CAL | 0.4° | 0.0° |
| OAG | CAE | CAJ | CAL | 0.2° | 0.0° |
| OAG | CAE | HAE | HAEA | 119.9° | 121.5° |
| CAJ | CAE | OAG | CAH | 0.1° | 0.0° |
| CAE | CAJ | CAL | CAH | 0.4° | 0.0° |
| CAE | CAJ | CAL | CAK | 179.8° | 180.0° |
| CAE | CAJ | CAD | HAD | 0.1° | 0.2° |
| CAJ | CAE | HAE | HAEA | 120.0° | 121.5° |
| NAF | CAI | CAK | CAL | 0.0° | 0.1° |
| NAF | CAI | CAA | HAA | 0.0° | 90.1° |
| NAF | CAI | CAA | HAAA | 120.0° | 149.9° |
| NAF | CAI | CAA | HAAB | 120.0° | 30.0° |
| CAI | NAF | CAD | HAD | 179.9° | 179.7° |
| OAG | CAH | CAL | CAJ | 0.5° | 0.0° |
| OAG | CAH | CAL | CAK | 179.8° | 180.0° |
| CAH | OAG | CAE | HAE | 120.1° | 119.2° |
| CAH | OAG | CAE | HAEA | 119.9° | 119.2° |
| CAH | CAL | CAK | CAI | 179.5° | 180.0° |
| CAH | CAL | CAJ | CAK | 179.8° | 180.0° |
| CAI | CAK | CAL | CAJ | 0.2° | 0.0° |
| CAK | CAI | CAA | HAA | 179.8° | 90.0° |
| CAK | CAI | CAA | HAAA | 59.8° | 30.0° |
| CAK | CAI | CAA | HAAB | 60.2° | 149.9° |
| CAI | CAK | OAC | HOAC | 179.6° | 90.0° |
| CAL | CAJ | CAD | HAD | 179.8° | 179.8° |
| CAL | CAJ | CAE | HAE | 119.8° | 119.2° |
| CAL | CAJ | CAE | HAEA | 120.2° | 119.2° |
| CAL | CAK | OAC | HOAC | 0.3° | 90.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
