M6N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAJ | doub | 1.22Å | 1.39Å | |
| NAH | CAJ | sing | 1.35Å | 1.31Å | |
| NAH | CAI | sing | 1.36Å | 1.33Å | |
| CAJ | CAL | sing | 1.47Å | 1.43Å | |
| CAA | CAI | sing | 1.51Å | 1.52Å | |
| CAI | NAG | doub | 1.30Å | 1.33Å | |
| CAL | CAD | doub | 1.39Å | 1.44Å | Aromatic |
| CAL | CAK | sing | 1.41Å | 1.37Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| NAG | CAK | sing | 1.35Å | 1.36Å | |
| CAK | CAE | doub | 1.40Å | 1.42Å | Aromatic |
| CAC | NAF | doub | 1.32Å | 1.33Å | Aromatic |
| CAE | NAF | sing | 1.32Å | 1.33Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| NAH | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAJ | NAH | 120.7° | 121.4° |
| OAB | CAJ | CAL | 121.0° | 121.5° |
| CAJ | NAH | CAI | 121.1° | 120.6° |
| NAH | CAJ | CAL | 118.4° | 117.2° |
| CAJ | NAH | H7 | 119.5° | 119.7° |
| NAH | CAI | CAA | 117.6° | 118.2° |
| NAH | CAI | NAG | 123.3° | 123.6° |
| CAI | NAH | H7 | 119.5° | 119.7° |
| CAJ | CAL | CAD | 121.9° | 122.9° |
| CAJ | CAL | CAK | 118.9° | 118.2° |
| CAA | CAI | NAG | 119.1° | 118.2° |
| CAI | CAA | H1 | 109.5° | 109.5° |
| CAI | CAA | H2 | 109.4° | 109.5° |
| CAI | CAA | H3 | 109.5° | 109.5° |
| CAI | NAG | CAK | 118.9° | 121.5° |
| CAD | CAL | CAK | 119.2° | 118.9° |
| CAL | CAD | CAC | 118.9° | 118.4° |
| CAL | CAD | H5 | 120.5° | 120.8° |
| CAL | CAK | NAG | 119.4° | 119.0° |
| CAL | CAK | CAE | 118.1° | 118.6° |
| CAD | CAC | NAF | 119.9° | 121.3° |
| CAD | CAC | H4 | 120.1° | 119.4° |
| CAC | CAD | H5 | 120.6° | 120.8° |
| NAG | CAK | CAE | 122.5° | 122.4° |
| CAK | CAE | NAF | 121.4° | 120.0° |
| CAK | CAE | H6 | 119.3° | 120.0° |
| CAC | NAF | CAE | 122.5° | 122.8° |
| NAF | CAC | H4 | 120.0° | 119.3° |
| NAF | CAE | H6 | 119.3° | 120.0° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAJ | NAH | CAL | 179.4° | 180.0° |
| OAB | CAJ | NAH | CAI | 179.9° | 180.0° |
| OAB | CAJ | CAL | CAD | 0.2° | 0.0° |
| OAB | CAJ | CAL | CAK | 179.7° | 180.0° |
| OAB | CAJ | NAH | H7 | 0.1° | 0.0° |
| CAJ | NAH | CAI | H7 | 180.0° | 180.0° |
| CAJ | NAH | CAI | CAA | 179.8° | 179.8° |
| CAJ | NAH | CAI | NAG | 0.2° | 0.3° |
| NAH | CAJ | CAL | CAD | 179.6° | 180.0° |
| NAH | CAJ | CAL | CAK | 0.3° | 0.0° |
| CAI | NAH | CAJ | CAL | 0.4° | 0.0° |
| NAH | CAI | CAA | NAG | 180.0° | 179.5° |
| NAH | CAI | NAG | CAK | 0.2° | 0.6° |
| NAH | CAI | CAA | H1 | 180.0° | 179.5° |
| NAH | CAI | CAA | H2 | 60.0° | 59.5° |
| NAH | CAI | CAA | H3 | 60.0° | 60.5° |
| CAJ | CAL | CAD | CAK | 179.9° | 180.0° |
| CAJ | CAL | CAD | CAC | 179.9° | 179.9° |
| CAJ | CAL | CAK | NAG | 0.1° | 0.2° |
| CAJ | CAL | CAK | CAE | 180.0° | 179.7° |
| CAJ | CAL | CAD | H5 | 0.1° | 0.0° |
| CAL | CAJ | NAH | H7 | 179.6° | 180.0° |
| CAA | CAI | NAG | CAK | 179.8° | 180.0° |
| CAI | CAA | H1 | H2 | 120.0° | 120.0° |
| CAI | CAA | H1 | H3 | 120.0° | 120.0° |
| CAI | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAI | NAH | H7 | 0.2° | 0.3° |
| CAI | NAG | CAK | CAL | 0.3° | 0.5° |
| CAI | NAG | CAK | CAE | 179.8° | 180.0° |
| NAG | CAI | CAA | H1 | 0.0° | 0.0° |
| NAG | CAI | CAA | H2 | 120.0° | 120.0° |
| NAG | CAI | CAA | H3 | 120.0° | 120.0° |
| NAG | CAI | NAH | H7 | 179.8° | 179.7° |
| CAL | CAD | CAC | H5 | 180.0° | 179.9° |
| CAD | CAL | CAK | NAG | 180.0° | 179.8° |
| CAD | CAL | CAK | CAE | 0.1° | 0.2° |
| CAL | CAD | CAC | NAF | 0.1° | 0.0° |
| CAL | CAD | CAC | H4 | 179.9° | 179.7° |
| CAK | CAL | CAD | CAC | 0.0° | 0.0° |
| CAL | CAK | NAG | CAE | 179.9° | 179.5° |
| CAL | CAK | CAE | NAF | 0.1° | 0.5° |
| CAK | CAL | CAD | H5 | 179.9° | 179.9° |
| CAL | CAK | CAE | H6 | 179.9° | 180.0° |
| CAD | CAC | NAF | H4 | 180.0° | 179.7° |
| CAD | CAC | NAF | CAE | 0.0° | 0.3° |
| NAG | CAK | CAE | NAF | 180.0° | 180.0° |
| NAG | CAK | CAE | H6 | 0.0° | 0.5° |
| CAK | CAE | NAF | CAC | 0.1° | 0.5° |
| CAK | CAE | NAF | H6 | 180.0° | 179.5° |
| NAF | CAC | CAD | H5 | 179.9° | 179.9° |
| CAC | NAF | CAE | H6 | 179.9° | 180.0° |
| CAE | NAF | CAC | H4 | 179.9° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAC | CAD | H5 | 0.1° | 0.4° |
