3PF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | NAL | sing | 1.47Å | 1.48Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAI | OAB | doub | 1.22Å | 1.25Å | |
| CAE | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | CAJ | sing | 1.37Å | 1.40Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAK | CAF | sing | 1.39Å | 1.38Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | NAL | sing | 1.47Å | 1.49Å | |
| CAG | CAJ | sing | 1.51Å | 1.49Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAI | NAH | sing | 1.34Å | 1.41Å | |
| CAK | NAH | sing | 1.40Å | 1.40Å | |
| NAH | HNAH | sing | 0.97Å | 1.00Å | |
| NAL | CAI | sing | 1.34Å | 1.38Å | |
| CAJ | CAK | doub | 1.39Å | 1.40Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAL | CAA | HAA | 109.5° | 109.5° |
| NAL | CAA | HAAA | 109.5° | 109.4° |
| NAL | CAA | HAAB | 109.5° | 109.5° |
| CAA | NAL | CAG | 115.1° | 120.4° |
| CAA | NAL | CAI | 123.1° | 120.4° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| OAB | CAI | NAH | 119.0° | 118.4° |
| OAB | CAI | NAL | 119.8° | 118.5° |
| CAE | CAC | CAD | 121.3° | 120.0° |
| CAE | CAC | HAC | 119.4° | 120.0° |
| CAC | CAE | CAJ | 116.9° | 119.8° |
| CAC | CAE | HAE | 121.6° | 120.1° |
| CAD | CAC | HAC | 119.4° | 120.0° |
| CAC | CAD | CAF | 121.6° | 120.4° |
| CAC | CAD | HAD | 119.2° | 119.8° |
| CAF | CAD | HAD | 119.2° | 119.8° |
| CAD | CAF | CAK | 117.7° | 119.8° |
| CAD | CAF | HAF | 121.2° | 120.1° |
| CAJ | CAE | HAE | 121.5° | 120.1° |
| CAE | CAJ | CAG | 115.3° | 121.3° |
| CAE | CAJ | CAK | 121.8° | 120.6° |
| CAK | CAF | HAF | 121.1° | 120.1° |
| CAF | CAK | NAH | 120.4° | 120.7° |
| CAF | CAK | CAJ | 120.6° | 119.4° |
| NAL | CAG | CAJ | 111.4° | 116.9° |
| NAL | CAG | HAG | 108.8° | 108.0° |
| NAL | CAG | HAGA | 108.8° | 108.0° |
| CAG | NAL | CAI | 121.4° | 119.2° |
| CAJ | CAG | HAG | 108.8° | 107.9° |
| CAJ | CAG | HAGA | 108.8° | 108.0° |
| CAG | CAJ | CAK | 122.9° | 118.0° |
| HAG | CAG | HAGA | 110.1° | 107.8° |
| CAI | NAH | CAK | 120.0° | 122.9° |
| CAI | NAH | HNAH | 120.0° | 118.6° |
| NAH | CAI | NAL | 121.0° | 123.1° |
| CAK | NAH | HNAH | 120.0° | 118.5° |
| NAH | CAK | CAJ | 118.6° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAL | CAA | HAA | HAAA | 120.0° | 119.9° |
| NAL | CAA | HAA | HAAB | 120.0° | 120.0° |
| NAL | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | NAL | CAI | OAB | 0.2° | 0.1° |
| CAA | NAL | CAG | CAI | 173.4° | 180.0° |
| CAA | NAL | CAG | CAJ | 168.2° | 180.0° |
| CAA | NAL | CAG | HAG | 71.8° | 58.1° |
| CAA | NAL | CAG | HAGA | 48.2° | 58.2° |
| CAA | NAL | CAI | NAH | 175.1° | 179.4° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | NAL | CAG | 180.0° | 90.0° |
| HAA | CAA | NAL | CAI | 6.7° | 90.0° |
| HAAA | CAA | NAL | CAG | 60.0° | 150.0° |
| HAAA | CAA | NAL | CAI | 126.7° | 30.0° |
| HAAB | CAA | NAL | CAG | 60.0° | 30.0° |
| HAAB | CAA | NAL | CAI | 113.3° | 150.0° |
| OAB | CAI | NAL | CAG | 173.1° | 179.9° |
| OAB | CAI | NAH | NAL | 175.3° | 179.3° |
| OAB | CAI | NAH | CAK | 169.4° | 180.0° |
| OAB | CAI | NAH | HNAH | 10.6° | 0.1° |
| CAE | CAC | CAD | HAC | 180.0° | 179.8° |
| CAE | CAC | CAD | CAF | 1.1° | 0.2° |
| CAE | CAC | CAD | HAD | 178.9° | 179.7° |
| CAC | CAE | CAJ | HAE | 180.0° | 179.9° |
| CAC | CAE | CAJ | CAG | 179.1° | 180.0° |
| CAC | CAE | CAJ | CAK | 2.6° | 0.6° |
| CAC | CAD | CAF | HAD | 180.0° | 180.0° |
| CAD | CAC | CAE | CAJ | 1.1° | 0.0° |
| CAD | CAC | CAE | HAE | 178.9° | 180.0° |
| CAC | CAD | CAF | CAK | 2.4° | 0.0° |
| CAC | CAD | CAF | HAF | 177.6° | 180.0° |
| HAC | CAC | CAD | CAF | 178.9° | 180.0° |
| HAC | CAC | CAD | HAD | 1.1° | 0.0° |
| HAC | CAC | CAE | CAJ | 178.9° | 179.7° |
| HAC | CAC | CAE | HAE | 1.1° | 0.2° |
| CAD | CAF | CAK | HAF | 180.0° | 180.0° |
| CAD | CAF | CAK | NAH | 176.9° | 179.8° |
| CAD | CAF | CAK | CAJ | 3.9° | 0.5° |
| HAD | CAD | CAF | CAK | 177.6° | 180.0° |
| HAD | CAD | CAF | HAF | 2.4° | 0.1° |
| CAE | CAJ | CAK | CAF | 4.2° | 0.8° |
| CAE | CAJ | CAG | NAL | 162.0° | 180.0° |
| CAE | CAJ | CAG | CAK | 178.2° | 179.4° |
| CAE | CAJ | CAG | HAG | 78.0° | 58.2° |
| CAE | CAJ | CAG | HAGA | 42.0° | 58.1° |
| CAE | CAJ | CAK | NAH | 177.3° | 179.9° |
| HAE | CAE | CAJ | CAG | 0.9° | 0.1° |
| HAE | CAE | CAJ | CAK | 177.4° | 179.5° |
| CAF | CAK | CAJ | CAG | 177.7° | 179.7° |
| CAF | CAK | NAH | CAI | 159.3° | 179.2° |
| CAF | CAK | NAH | CAJ | 173.1° | 179.2° |
| CAF | CAK | NAH | HNAH | 20.7° | 0.7° |
| HAF | CAF | CAK | NAH | 3.1° | 0.3° |
| HAF | CAF | CAK | CAJ | 176.1° | 179.5° |
| NAL | CAG | CAJ | HAG | 120.0° | 121.8° |
| NAL | CAG | CAJ | HAGA | 120.0° | 121.9° |
| NAL | CAG | HAG | HAGA | 119.2° | 116.4° |
| CAG | NAL | CAI | NAH | 2.2° | 0.6° |
| NAL | CAG | CAJ | CAK | 19.8° | 0.5° |
| CAJ | CAG | HAG | HAGA | 119.2° | 116.4° |
| CAG | CAJ | CAK | NAH | 4.6° | 0.5° |
| CAJ | CAG | NAL | CAI | 18.4° | 0.0° |
| HAG | CAG | NAL | CAI | 101.6° | 121.8° |
| HAG | CAG | CAJ | CAK | 100.2° | 122.4° |
| HAGA | CAG | NAL | CAI | 138.4° | 121.8° |
| HAGA | CAG | CAJ | CAK | 139.8° | 121.3° |
| CAI | NAH | CAK | HNAH | 180.0° | 179.9° |
| CAI | NAH | CAK | CAJ | 13.8° | 0.1° |
| CAK | NAH | CAI | NAL | 15.2° | 0.7° |
| HNAH | NAH | CAI | NAL | 164.8° | 179.5° |
| HNAH | NAH | CAK | CAJ | 166.2° | 180.0° |
