5MK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAE | CAI | sing | 1.39Å | 1.41Å | Aromatic |
| NAB | CAI | sing | 1.39Å | 1.35Å | |
| CAF | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAK | doub | 1.40Å | 1.44Å | Aromatic |
| CAJ | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CLA | sing | 1.74Å | 1.73Å | |
| CAK | CAG | sing | 1.40Å | 1.40Å | Aromatic |
| CAK | CAH | sing | 1.47Å | 1.43Å | |
| CAH | OAC | doub | 1.22Å | 1.23Å | |
| CAH | NAA | sing | 1.35Å | 1.34Å | |
| NAB | H1 | sing | 0.97Å | 1.00Å | |
| NAB | H2 | sing | 0.97Å | 1.00Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| NAA | H6 | sing | 0.97Å | 1.00Å | |
| NAA | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAE | CAI | 118.9° | 120.1° |
| CAE | CAF | CAJ | 119.8° | 120.4° |
| CAF | CAE | H3 | 120.6° | 119.9° |
| CAE | CAF | H4 | 120.1° | 119.8° |
| CAE | CAI | NAB | 119.3° | 120.2° |
| CAE | CAI | CAK | 122.4° | 119.7° |
| CAI | CAE | H3 | 120.6° | 120.0° |
| NAB | CAI | CAK | 118.3° | 120.1° |
| CAI | NAB | H1 | 109.5° | 120.0° |
| CAI | NAB | H2 | 109.5° | 120.0° |
| CAF | CAJ | CAG | 120.8° | 120.3° |
| CAF | CAJ | CLA | 123.2° | 119.8° |
| CAJ | CAF | H4 | 120.1° | 119.8° |
| CAI | CAK | CAG | 116.1° | 119.6° |
| CAI | CAK | CAH | 125.2° | 120.2° |
| CAG | CAJ | CLA | 115.9° | 119.8° |
| CAJ | CAG | CAK | 122.0° | 119.9° |
| CAJ | CAG | H5 | 119.0° | 120.0° |
| CAG | CAK | CAH | 118.6° | 120.2° |
| CAK | CAG | H5 | 119.0° | 120.1° |
| CAK | CAH | OAC | 120.0° | 120.0° |
| CAK | CAH | NAA | 119.6° | 120.0° |
| OAC | CAH | NAA | 120.1° | 120.0° |
| CAH | NAA | H6 | 120.0° | 120.0° |
| CAH | NAA | H7 | 120.0° | 120.1° |
| H1 | NAB | H2 | 109.5° | 120.0° |
| H6 | NAA | H7 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAE | CAI | H3 | 180.0° | 180.0° |
| CAF | CAE | CAI | NAB | 178.9° | 180.0° |
| CAE | CAF | CAJ | H4 | 180.0° | 179.9° |
| CAF | CAE | CAI | CAK | 0.7° | 0.2° |
| CAE | CAF | CAJ | CAG | 0.4° | 0.1° |
| CAE | CAF | CAJ | CLA | 176.7° | 180.0° |
| CAE | CAI | NAB | CAK | 178.3° | 179.8° |
| CAI | CAE | CAF | CAJ | 0.1° | 0.0° |
| CAE | CAI | CAK | CAG | 1.6° | 0.5° |
| CAE | CAI | CAK | CAH | 180.0° | 179.7° |
| CAE | CAI | NAB | H1 | 180.0° | 174.7° |
| CAE | CAI | NAB | H2 | 60.0° | 5.6° |
| CAI | CAE | CAF | H4 | 179.9° | 180.0° |
| NAB | CAI | CAK | CAG | 179.8° | 179.7° |
| NAB | CAI | CAK | CAH | 1.8° | 0.0° |
| CAI | NAB | H1 | H2 | 120.0° | 179.7° |
| NAB | CAI | CAE | H3 | 1.1° | 0.0° |
| CAF | CAJ | CAG | CLA | 176.5° | 180.0° |
| CAF | CAJ | CAG | CAK | 1.5° | 0.2° |
| CAJ | CAF | CAE | H3 | 179.9° | 180.0° |
| CAF | CAJ | CAG | H5 | 178.5° | 179.9° |
| CAI | CAK | CAG | CAJ | 1.9° | 0.5° |
| CAI | CAK | CAG | CAH | 178.5° | 179.7° |
| CAI | CAK | CAH | OAC | 13.5° | 5.6° |
| CAI | CAK | CAH | NAA | 173.3° | 174.3° |
| CAK | CAI | NAB | H1 | 1.7° | 5.6° |
| CAK | CAI | NAB | H2 | 118.3° | 174.1° |
| CAK | CAI | CAE | H3 | 179.3° | 179.7° |
| CAI | CAK | CAG | H5 | 178.0° | 179.8° |
| CAJ | CAG | CAK | H5 | 180.0° | 179.7° |
| CAJ | CAG | CAK | CAH | 179.5° | 179.7° |
| CAG | CAJ | CAF | H4 | 179.6° | 180.0° |
| CLA | CAJ | CAG | CAK | 178.0° | 179.7° |
| CLA | CAJ | CAF | H4 | 3.3° | 0.0° |
| CLA | CAJ | CAG | H5 | 2.0° | 0.1° |
| CAG | CAK | CAH | OAC | 164.8° | 174.1° |
| CAG | CAK | CAH | NAA | 8.3° | 5.9° |
| CAK | CAH | OAC | NAA | 173.1° | 179.9° |
| CAH | CAK | CAG | H5 | 0.5° | 0.0° |
| CAK | CAH | NAA | H6 | 173.2° | 0.0° |
| CAK | CAH | NAA | H7 | 6.8° | 180.0° |
| OAC | CAH | NAA | H6 | 0.0° | 179.9° |
| OAC | CAH | NAA | H7 | 180.0° | 0.0° |
| CAH | NAA | H6 | H7 | 180.0° | 179.9° |
| H3 | CAE | CAF | H4 | 0.0° | 0.1° |
