5M0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAJ | sing | 1.39Å | 1.41Å | Aromatic |
| NAB | CAJ | sing | 1.39Å | 1.33Å | |
| CAE | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAK | doub | 1.40Å | 1.41Å | Aromatic |
| CAI | CAA | sing | 1.51Å | 1.40Å | |
| CAI | CAG | doub | 1.38Å | 1.37Å | Aromatic |
| CAK | CAG | sing | 1.40Å | 1.38Å | Aromatic |
| CAK | CAH | sing | 1.47Å | 1.40Å | |
| OAC | CAH | doub | 1.22Å | 1.25Å | |
| CAH | OAD | sing | 1.35Å | 1.26Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| NAB | H8 | sing | 0.97Å | 1.00Å | |
| NAB | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAF | CAJ | 119.4° | 120.1° |
| CAF | CAE | CAI | 118.9° | 120.5° |
| CAF | CAE | H6 | 120.5° | 119.8° |
| CAE | CAF | H7 | 120.3° | 120.0° |
| CAF | CAJ | NAB | 121.3° | 120.2° |
| CAF | CAJ | CAK | 120.8° | 119.6° |
| CAJ | CAF | H7 | 120.3° | 120.0° |
| NAB | CAJ | CAK | 117.9° | 120.2° |
| CAJ | NAB | H8 | 109.5° | 120.0° |
| CAJ | NAB | H9 | 109.5° | 120.0° |
| CAE | CAI | CAA | 125.6° | 119.8° |
| CAE | CAI | CAG | 120.7° | 120.3° |
| CAI | CAE | H6 | 120.6° | 119.8° |
| CAJ | CAK | CAG | 118.2° | 119.6° |
| CAJ | CAK | CAH | 127.9° | 120.2° |
| CAA | CAI | CAG | 113.6° | 119.9° |
| CAI | CAA | H3 | 109.5° | 109.5° |
| CAI | CAA | H4 | 109.5° | 109.5° |
| CAI | CAA | H5 | 109.4° | 109.5° |
| CAI | CAG | CAK | 121.9° | 119.9° |
| CAI | CAG | H2 | 119.1° | 120.0° |
| CAG | CAK | CAH | 113.9° | 120.2° |
| CAK | CAG | H2 | 119.0° | 120.0° |
| CAK | CAH | OAC | 121.7° | 120.0° |
| CAK | CAH | OAD | 119.2° | 120.0° |
| OAC | CAH | OAD | 119.0° | 120.0° |
| CAH | OAD | H1 | 109.5° | 117.0° |
| H3 | CAA | H4 | 109.5° | 109.6° |
| H3 | CAA | H5 | 109.5° | 109.4° |
| H4 | CAA | H5 | 109.5° | 109.4° |
| H8 | NAB | H9 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAF | CAJ | H7 | 180.0° | 179.8° |
| CAE | CAF | CAJ | NAB | 179.3° | 180.0° |
| CAF | CAE | CAI | H6 | 180.0° | 180.0° |
| CAE | CAF | CAJ | CAK | 1.1° | 0.6° |
| CAF | CAE | CAI | CAA | 179.6° | 180.0° |
| CAF | CAE | CAI | CAG | 0.1° | 0.0° |
| CAF | CAJ | NAB | CAK | 179.6° | 179.5° |
| CAJ | CAF | CAE | CAI | 0.7° | 0.3° |
| CAF | CAJ | CAK | CAG | 0.6° | 0.5° |
| CAF | CAJ | CAK | CAH | 179.6° | 179.7° |
| CAJ | CAF | CAE | H6 | 179.3° | 179.7° |
| CAF | CAJ | NAB | H8 | 180.0° | 5.4° |
| CAF | CAJ | NAB | H9 | 60.0° | 174.5° |
| NAB | CAJ | CAK | CAG | 179.7° | 180.0° |
| NAB | CAJ | CAK | CAH | 0.1° | 0.3° |
| NAB | CAJ | CAF | H7 | 0.7° | 0.2° |
| CAJ | NAB | H8 | H9 | 120.0° | 179.9° |
| CAE | CAI | CAA | CAG | 179.6° | 180.0° |
| CAE | CAI | CAG | CAK | 0.5° | 0.0° |
| CAE | CAI | CAG | H2 | 179.5° | 180.0° |
| CAE | CAI | CAA | H3 | 89.7° | 90.0° |
| CAE | CAI | CAA | H4 | 150.2° | 30.1° |
| CAE | CAI | CAA | H5 | 30.3° | 150.0° |
| CAI | CAE | CAF | H7 | 179.3° | 180.0° |
| CAJ | CAK | CAG | CAI | 0.2° | 0.3° |
| CAJ | CAK | CAG | CAH | 179.8° | 179.7° |
| CAJ | CAK | CAH | OAC | 0.3° | 6.1° |
| CAJ | CAK | CAH | OAD | 179.0° | 173.6° |
| CAJ | CAK | CAG | H2 | 179.8° | 179.7° |
| CAK | CAJ | CAF | H7 | 178.9° | 179.7° |
| CAK | CAJ | NAB | H8 | 0.4° | 175.1° |
| CAK | CAJ | NAB | H9 | 119.6° | 5.0° |
| CAA | CAI | CAG | CAK | 179.9° | 180.0° |
| CAA | CAI | CAG | H2 | 0.1° | 0.0° |
| CAI | CAA | H3 | H4 | 120.0° | 120.1° |
| CAI | CAA | H3 | H5 | 120.0° | 119.9° |
| CAI | CAA | H4 | H5 | 119.9° | 120.0° |
| CAA | CAI | CAE | H6 | 0.4° | 0.0° |
| CAI | CAG | CAK | H2 | 180.0° | 180.0° |
| CAI | CAG | CAK | CAH | 179.7° | 180.0° |
| CAG | CAI | CAA | H3 | 89.9° | 89.9° |
| CAG | CAI | CAA | H4 | 30.2° | 149.9° |
| CAG | CAI | CAA | H5 | 150.1° | 30.0° |
| CAG | CAI | CAE | H6 | 179.9° | 180.0° |
| CAG | CAK | CAH | OAC | 179.8° | 174.1° |
| CAG | CAK | CAH | OAD | 0.8° | 6.1° |
| CAK | CAH | OAC | OAD | 179.3° | 179.7° |
| CAK | CAH | OAD | H1 | 179.3° | 179.7° |
| CAH | CAK | CAG | H2 | 0.3° | 0.0° |
| OAC | CAH | OAD | H1 | 0.0° | 0.0° |
| H3 | CAA | H4 | H5 | 120.0° | 120.0° |
| H6 | CAE | CAF | H7 | 0.7° | 0.0° |
