5WX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAG | sing | 1.43Å | 1.46Å | |
| OAG | CAJ | sing | 1.36Å | 1.38Å | |
| NAB | CAI | sing | 1.39Å | 1.31Å | |
| CAJ | CAD | doub | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAL | sing | 1.40Å | 1.37Å | Aromatic |
| CAD | CAC | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAL | sing | 1.47Å | 1.36Å | Aromatic |
| CAI | NAF | doub | 1.30Å | 1.32Å | Aromatic |
| CAL | CAK | doub | 1.40Å | 1.36Å | Aromatic |
| CAC | CAE | doub | 1.38Å | 1.41Å | Aromatic |
| NAF | OAH | sing | 1.41Å | 1.45Å | Aromatic |
| CAK | CAE | sing | 1.39Å | 1.34Å | Aromatic |
| CAK | OAH | sing | 1.35Å | 1.40Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| NAB | H4 | sing | 0.97Å | 1.00Å | |
| NAB | H5 | sing | 0.97Å | 1.00Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAC | H7 | sing | 1.08Å | 1.08Å | |
| CAD | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAG | CAJ | 118.3° | 117.0° |
| OAG | CAA | H1 | 109.5° | 109.5° |
| OAG | CAA | H2 | 109.5° | 109.4° |
| OAG | CAA | H3 | 109.5° | 109.5° |
| OAG | CAJ | CAD | 123.3° | 120.2° |
| OAG | CAJ | CAL | 116.0° | 120.2° |
| NAB | CAI | CAL | 130.1° | 126.3° |
| NAB | CAI | NAF | 118.2° | 126.4° |
| CAI | NAB | H4 | 109.5° | 120.1° |
| CAI | NAB | H5 | 109.5° | 120.0° |
| CAD | CAJ | CAL | 120.7° | 119.6° |
| CAJ | CAD | CAC | 118.3° | 120.3° |
| CAJ | CAD | H8 | 120.9° | 119.8° |
| CAJ | CAL | CAI | 132.5° | 133.7° |
| CAJ | CAL | CAK | 119.6° | 119.9° |
| CAD | CAC | CAE | 119.4° | 120.7° |
| CAD | CAC | H7 | 120.3° | 119.7° |
| CAC | CAD | H8 | 120.9° | 119.9° |
| CAL | CAI | NAF | 111.7° | 107.3° |
| CAI | CAL | CAK | 107.9° | 106.5° |
| CAI | NAF | OAH | 106.5° | 109.6° |
| CAL | CAK | CAE | 121.7° | 119.6° |
| CAL | CAK | OAH | 108.2° | 107.2° |
| CAC | CAE | CAK | 120.4° | 120.0° |
| CAC | CAE | H6 | 119.8° | 119.9° |
| CAE | CAC | H7 | 120.3° | 119.6° |
| NAF | OAH | CAK | 105.7° | 109.4° |
| CAE | CAK | OAH | 130.1° | 133.2° |
| CAK | CAE | H6 | 119.8° | 120.0° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | NAB | H5 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAG | CAJ | CAD | 8.0° | 0.0° |
| CAA | OAG | CAJ | CAL | 172.8° | 179.7° |
| OAG | CAA | H1 | H2 | 120.0° | 120.0° |
| OAG | CAA | H1 | H3 | 120.0° | 120.0° |
| OAG | CAA | H2 | H3 | 120.0° | 120.0° |
| OAG | CAJ | CAD | CAL | 179.1° | 179.7° |
| OAG | CAJ | CAD | CAC | 179.3° | 179.6° |
| OAG | CAJ | CAL | CAI | 0.4° | 0.0° |
| OAG | CAJ | CAL | CAK | 178.4° | 180.0° |
| CAJ | OAG | CAA | H1 | 180.0° | 60.0° |
| CAJ | OAG | CAA | H2 | 60.0° | 180.0° |
| CAJ | OAG | CAA | H3 | 60.0° | 60.0° |
| OAG | CAJ | CAD | H8 | 0.7° | 0.0° |
| NAB | CAI | CAL | CAJ | 1.3° | 0.0° |
| NAB | CAI | CAL | NAF | 178.8° | 180.0° |
| NAB | CAI | CAL | CAK | 179.8° | 180.0° |
| NAB | CAI | NAF | OAH | 179.7° | 180.0° |
| CAI | NAB | H4 | H5 | 120.0° | 180.0° |
| CAJ | CAD | CAC | H8 | 180.0° | 179.6° |
| CAD | CAJ | CAL | CAI | 179.6° | 179.7° |
| CAD | CAJ | CAL | CAK | 0.8° | 0.3° |
| CAJ | CAD | CAC | CAE | 0.8° | 0.7° |
| CAJ | CAD | CAC | H7 | 179.2° | 179.7° |
| CAL | CAJ | CAD | CAC | 0.1° | 0.7° |
| CAJ | CAL | CAI | CAK | 178.9° | 180.0° |
| CAJ | CAL | CAI | NAF | 179.9° | 180.0° |
| CAJ | CAL | CAK | CAE | 1.0° | 0.0° |
| CAJ | CAL | CAK | OAH | 179.9° | 180.0° |
| CAL | CAJ | CAD | H8 | 179.8° | 179.7° |
| CAD | CAC | CAE | H7 | 180.0° | 179.6° |
| CAD | CAC | CAE | CAK | 0.6° | 0.4° |
| CAD | CAC | CAE | H6 | 179.4° | 179.7° |
| CAL | CAI | NAF | OAH | 0.7° | 0.0° |
| CAI | CAL | CAK | CAE | 179.9° | 180.0° |
| CAI | CAL | CAK | OAH | 0.9° | 0.0° |
| CAL | CAI | NAB | H4 | 178.7° | 0.0° |
| CAL | CAI | NAB | H5 | 58.8° | 180.0° |
| NAF | CAI | CAL | CAK | 1.0° | 0.0° |
| CAI | NAF | OAH | CAK | 0.2° | 0.0° |
| NAF | CAI | NAB | H4 | 0.0° | 180.0° |
| NAF | CAI | NAB | H5 | 120.0° | 0.0° |
| CAL | CAK | CAE | CAC | 0.4° | 0.0° |
| CAL | CAK | OAH | NAF | 0.4° | 0.0° |
| CAL | CAK | CAE | OAH | 178.8° | 179.9° |
| CAL | CAK | CAE | H6 | 179.6° | 180.0° |
| CAC | CAE | CAK | H6 | 180.0° | 180.0° |
| CAC | CAE | CAK | OAH | 179.2° | 179.9° |
| CAE | CAC | CAD | H8 | 179.2° | 179.7° |
| NAF | OAH | CAK | CAE | 179.4° | 180.0° |
| CAK | CAE | CAC | H7 | 179.4° | 180.0° |
| OAH | CAK | CAE | H6 | 0.8° | 0.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H6 | CAE | CAC | H7 | 0.6° | 0.1° |
| H7 | CAC | CAD | H8 | 0.8° | 0.1° |
