5PN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAI | sing | 1.51Å | 1.44Å | |
| CAI | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | NAF | sing | 1.32Å | 1.34Å | Aromatic |
| OAC | CAJ | sing | 1.36Å | 1.33Å | |
| CAJ | CAL | sing | 1.38Å | 1.34Å | Aromatic |
| NAF | CAD | doub | 1.32Å | 1.44Å | Aromatic |
| CAL | CAK | doub | 1.40Å | 1.38Å | Aromatic |
| CAL | CAE | sing | 1.50Å | 1.46Å | |
| CAD | CAK | sing | 1.40Å | 1.36Å | Aromatic |
| CAK | CAH | sing | 1.47Å | 1.33Å | |
| CAE | OAG | sing | 1.46Å | 1.43Å | |
| CAH | OAG | sing | 1.35Å | 1.42Å | |
| CAH | OAB | doub | 1.21Å | 1.20Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.09Å | 1.10Å | |
| CAE | H6 | sing | 1.09Å | 1.10Å | |
| OAC | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAI | CAJ | 117.8° | 119.5° |
| CAA | CAI | NAF | 126.8° | 119.5° |
| CAI | CAA | H1 | 109.5° | 109.5° |
| CAI | CAA | H2 | 109.4° | 109.5° |
| CAI | CAA | H3 | 109.5° | 109.5° |
| CAJ | CAI | NAF | 115.4° | 120.9° |
| CAI | CAJ | OAC | 120.3° | 120.6° |
| CAI | CAJ | CAL | 123.6° | 118.8° |
| CAI | NAF | CAD | 125.0° | 122.3° |
| OAC | CAJ | CAL | 116.1° | 120.6° |
| CAJ | OAC | H7 | 109.5° | 114.0° |
| CAJ | CAL | CAK | 118.4° | 119.0° |
| CAJ | CAL | CAE | 128.8° | 134.6° |
| NAF | CAD | CAK | 113.8° | 120.4° |
| NAF | CAD | H4 | 123.1° | 119.8° |
| CAK | CAL | CAE | 112.7° | 106.4° |
| CAL | CAK | CAD | 123.5° | 118.7° |
| CAL | CAK | CAH | 103.5° | 108.0° |
| CAL | CAE | OAG | 103.6° | 106.4° |
| CAL | CAE | H5 | 110.9° | 110.1° |
| CAL | CAE | H6 | 110.9° | 110.1° |
| CAD | CAK | CAH | 132.9° | 133.4° |
| CAK | CAD | H4 | 123.1° | 119.8° |
| CAK | CAH | OAG | 115.7° | 110.2° |
| CAK | CAH | OAB | 118.5° | 124.9° |
| CAE | OAG | CAH | 104.5° | 109.0° |
| OAG | CAE | H5 | 110.9° | 110.1° |
| OAG | CAE | H6 | 110.9° | 110.1° |
| OAG | CAH | OAB | 125.2° | 124.9° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H5 | CAE | H6 | 109.4° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAI | CAJ | NAF | 180.0° | 179.8° |
| CAA | CAI | CAJ | OAC | 1.7° | 0.1° |
| CAA | CAI | CAJ | CAL | 175.7° | 179.8° |
| CAA | CAI | NAF | CAD | 174.9° | 180.0° |
| CAI | CAA | H1 | H2 | 120.0° | 120.1° |
| CAI | CAA | H1 | H3 | 120.0° | 120.0° |
| CAI | CAA | H2 | H3 | 120.0° | 120.0° |
| CAI | CAJ | OAC | CAL | 177.6° | 179.8° |
| CAJ | CAI | NAF | CAD | 5.1° | 0.2° |
| CAI | CAJ | CAL | CAK | 3.7° | 0.5° |
| CAI | CAJ | CAL | CAE | 179.6° | 179.8° |
| CAJ | CAI | CAA | H1 | 180.0° | 90.0° |
| CAJ | CAI | CAA | H2 | 60.0° | 149.9° |
| CAJ | CAI | CAA | H3 | 60.0° | 29.9° |
| CAI | CAJ | OAC | H7 | 180.0° | 90.1° |
| NAF | CAI | CAJ | OAC | 178.3° | 179.7° |
| NAF | CAI | CAJ | CAL | 4.3° | 0.4° |
| CAI | NAF | CAD | CAK | 5.2° | 0.0° |
| NAF | CAI | CAA | H1 | 0.0° | 89.8° |
| NAF | CAI | CAA | H2 | 120.0° | 30.3° |
| NAF | CAI | CAA | H3 | 120.0° | 150.3° |
| CAI | NAF | CAD | H4 | 174.9° | 180.0° |
| OAC | CAJ | CAL | CAK | 178.8° | 179.7° |
| OAC | CAJ | CAL | CAE | 2.9° | 0.0° |
| CAJ | CAL | CAK | CAE | 176.5° | 179.8° |
| CAJ | CAL | CAK | CAD | 3.8° | 0.3° |
| CAJ | CAL | CAK | CAH | 175.0° | 179.8° |
| CAJ | CAL | CAE | OAG | 174.6° | 179.7° |
| CAJ | CAL | CAE | H5 | 66.4° | 61.1° |
| CAJ | CAL | CAE | H6 | 55.5° | 60.5° |
| CAL | CAJ | OAC | H7 | 2.4° | 89.8° |
| NAF | CAD | CAK | CAL | 4.3° | 0.0° |
| NAF | CAD | CAK | H4 | 180.0° | 180.0° |
| NAF | CAD | CAK | CAH | 174.2° | 180.0° |
| CAL | CAK | CAD | CAH | 178.5° | 179.9° |
| CAK | CAL | CAE | OAG | 1.5° | 0.0° |
| CAL | CAK | CAH | OAG | 1.0° | 0.0° |
| CAL | CAK | CAH | OAB | 170.2° | 180.0° |
| CAL | CAK | CAD | H4 | 175.7° | 180.0° |
| CAK | CAL | CAE | H5 | 117.5° | 119.2° |
| CAK | CAL | CAE | H6 | 120.6° | 119.3° |
| CAE | CAL | CAK | CAD | 179.6° | 180.0° |
| CAE | CAL | CAK | CAH | 1.5° | 0.0° |
| CAL | CAE | OAG | H5 | 119.0° | 119.3° |
| CAL | CAE | OAG | H6 | 119.1° | 119.3° |
| CAL | CAE | OAG | CAH | 0.8° | 0.0° |
| CAL | CAE | H5 | H6 | 122.7° | 121.5° |
| CAD | CAK | CAH | OAG | 179.7° | 180.0° |
| CAD | CAK | CAH | OAB | 8.5° | 0.1° |
| CAK | CAH | OAG | CAE | 0.1° | 0.0° |
| CAK | CAH | OAG | OAB | 170.5° | 180.0° |
| CAH | CAK | CAD | H4 | 5.8° | 0.1° |
| CAE | OAG | CAH | OAB | 170.5° | 180.0° |
| OAG | CAE | H5 | H6 | 122.7° | 121.5° |
| CAH | OAG | CAE | H5 | 118.2° | 119.2° |
| CAH | OAG | CAE | H6 | 119.9° | 119.3° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
