4N6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAF | sing | 1.43Å | 1.38Å | |
| CAL | CAE | doub | 1.36Å | 1.42Å | Aromatic |
| CAL | CAO | sing | 1.45Å | 1.45Å | Aromatic |
| CAF | CAG | sing | 1.53Å | 1.49Å | |
| CAE | CAM | sing | 1.41Å | 1.45Å | Aromatic |
| NAH | CAO | doub | 1.31Å | 1.28Å | Aromatic |
| NAH | OAK | sing | 1.22Å | 1.34Å | Aromatic |
| CAO | CAP | sing | 1.49Å | 1.36Å | Aromatic |
| CAM | NAJ | sing | 1.39Å | 1.43Å | |
| CAM | CAN | doub | 1.36Å | 1.42Å | Aromatic |
| OAK | NAI | sing | 1.21Å | 1.34Å | Aromatic |
| CAG | NAJ | sing | 1.46Å | 1.44Å | |
| CAP | CAN | sing | 1.40Å | 1.46Å | Aromatic |
| CAP | NAI | doub | 1.31Å | 1.28Å | Aromatic |
| CAN | NAQ | sing | 1.48Å | 1.43Å | |
| OAC | NAQ | doub | 1.22Å | 1.22Å | |
| NAQ | OAA | sing | 1.22Å | 1.22Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| NAJ | HAJ | sing | 0.97Å | 1.00Å | |
| CAG | HAH | sing | 1.09Å | 1.10Å | |
| CAG | HAI | sing | 1.09Å | 1.10Å | |
| CAF | HAG | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| OAB | HAB | sing | 0.97Å | 0.95Å | |
| CAL | CL1 | sing | 1.74Å | 1.76Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAF | CAG | 110.6° | 109.5° |
| OAB | CAF | HAG | 109.2° | 109.5° |
| OAB | CAF | HAF | 109.2° | 109.5° |
| CAF | OAB | HAB | 109.5° | 114.0° |
| CAE | CAL | CAO | 121.0° | 118.9° |
| CAL | CAE | CAM | 119.4° | 121.7° |
| CAL | CAE | HAE | 120.3° | 119.2° |
| CAE | CAL | CL1 | 118.4° | 120.5° |
| CAL | CAO | NAH | 131.8° | 138.7° |
| CAL | CAO | CAP | 119.9° | 118.4° |
| CAO | CAL | CL1 | 120.5° | 120.6° |
| CAF | CAG | NAJ | 110.4° | 109.5° |
| CAF | CAG | HAH | 109.2° | 109.5° |
| CAF | CAG | HAI | 109.2° | 109.5° |
| CAG | CAF | HAG | 109.2° | 109.5° |
| CAG | CAF | HAF | 109.2° | 109.5° |
| CAE | CAM | NAJ | 121.6° | 118.8° |
| CAE | CAM | CAN | 118.3° | 122.5° |
| CAM | CAE | HAE | 120.3° | 119.1° |
| CAO | NAH | OAK | 108.2° | 109.1° |
| NAH | CAO | CAP | 108.3° | 102.9° |
| NAH | OAK | NAI | 107.2° | 116.3° |
| CAO | CAP | CAN | 120.3° | 118.6° |
| CAO | CAP | NAI | 108.0° | 102.7° |
| NAJ | CAM | CAN | 120.1° | 118.8° |
| CAM | NAJ | CAG | 121.8° | 120.0° |
| CAM | NAJ | HAJ | 106.3° | 120.0° |
| CAM | CAN | CAP | 121.1° | 119.9° |
| CAM | CAN | NAQ | 120.0° | 120.0° |
| OAK | NAI | CAP | 108.4° | 109.0° |
| CAG | NAJ | HAJ | 106.3° | 120.0° |
| NAJ | CAG | HAH | 109.3° | 109.4° |
| NAJ | CAG | HAI | 109.3° | 109.5° |
| CAN | CAP | NAI | 131.8° | 138.7° |
| CAP | CAN | NAQ | 118.9° | 120.0° |
| CAN | NAQ | OAC | 120.4° | 120.0° |
| CAN | NAQ | OAA | 119.6° | 120.0° |
| OAC | NAQ | OAA | 120.0° | 120.0° |
| HAH | CAG | HAI | 109.4° | 109.4° |
| HAG | CAF | HAF | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAF | CAG | HAG | 120.2° | 120.0° |
| OAB | CAF | CAG | HAF | 120.2° | 120.0° |
| OAB | CAF | CAG | NAJ | 107.1° | 65.0° |
| OAB | CAF | CAG | HAH | 132.7° | 55.0° |
| OAB | CAF | CAG | HAI | 13.1° | 174.9° |
| OAB | CAF | HAG | HAF | 119.5° | 120.0° |
| CAE | CAL | CAO | CL1 | 178.6° | 179.8° |
| CAL | CAE | CAM | HAE | 180.0° | 179.8° |
| CAE | CAL | CAO | NAH | 179.9° | 180.0° |
| CAE | CAL | CAO | CAP | 0.8° | 0.0° |
| CAL | CAE | CAM | NAJ | 180.0° | 179.9° |
| CAL | CAE | CAM | CAN | 0.2° | 0.5° |
| CAO | CAL | CAE | CAM | 0.6° | 0.2° |
| CAL | CAO | NAH | CAP | 179.4° | 180.0° |
| CAL | CAO | NAH | OAK | 179.5° | 180.0° |
| CAL | CAO | CAP | CAN | 0.5° | 0.0° |
| CAL | CAO | CAP | NAI | 179.6° | 180.0° |
| CAO | CAL | CAE | HAE | 179.4° | 180.0° |
| CAF | CAG | NAJ | CAM | 103.9° | 180.0° |
| CAF | CAG | NAJ | HAH | 120.1° | 120.0° |
| CAF | CAG | NAJ | HAI | 120.2° | 120.0° |
| CAF | CAG | NAJ | HAJ | 134.4° | 0.0° |
| CAF | CAG | HAH | HAI | 119.5° | 120.0° |
| CAG | CAF | HAG | HAF | 119.5° | 120.0° |
| CAG | CAF | OAB | HAB | 180.0° | 180.0° |
| CAE | CAM | NAJ | CAN | 179.9° | 179.5° |
| CAE | CAM | NAJ | CAG | 18.7° | 0.0° |
| CAE | CAM | CAN | CAP | 0.2° | 0.5° |
| CAE | CAM | CAN | NAQ | 179.9° | 179.8° |
| CAE | CAM | NAJ | HAJ | 140.4° | 180.0° |
| CAM | CAE | CAL | CL1 | 179.3° | 180.0° |
| CAO | NAH | OAK | NAI | 0.0° | 0.0° |
| NAH | CAO | CAP | CAN | 179.9° | 180.0° |
| NAH | CAO | CAP | NAI | 0.1° | 0.0° |
| NAH | CAO | CAL | CL1 | 1.3° | 0.2° |
| OAK | NAH | CAO | CAP | 0.1° | 0.0° |
| NAH | OAK | NAI | CAP | 0.0° | 0.0° |
| CAO | CAP | CAN | CAM | 0.0° | 0.3° |
| CAO | CAP | NAI | OAK | 0.1° | 0.0° |
| CAO | CAP | CAN | NAI | 180.0° | 180.0° |
| CAO | CAP | CAN | NAQ | 179.9° | 180.0° |
| CAP | CAO | CAL | CL1 | 179.4° | 179.8° |
| CAM | NAJ | CAG | HAJ | 121.7° | 180.0° |
| NAJ | CAM | CAN | CAP | 179.7° | 180.0° |
| NAJ | CAM | CAN | NAQ | 0.2° | 0.3° |
| NAJ | CAM | CAE | HAE | 0.0° | 0.2° |
| CAM | NAJ | CAG | HAH | 136.0° | 60.0° |
| CAM | NAJ | CAG | HAI | 16.3° | 59.9° |
| CAN | CAM | NAJ | CAG | 161.1° | 179.5° |
| CAM | CAN | CAP | NAQ | 179.9° | 179.7° |
| CAM | CAN | CAP | NAI | 180.0° | 179.7° |
| CAM | CAN | NAQ | OAC | 45.4° | 89.5° |
| CAM | CAN | NAQ | OAA | 134.7° | 90.3° |
| CAN | CAM | CAE | HAE | 179.9° | 179.7° |
| CAN | CAM | NAJ | HAJ | 39.4° | 0.6° |
| OAK | NAI | CAP | CAN | 179.9° | 180.0° |
| NAJ | CAG | HAH | HAI | 119.6° | 120.0° |
| NAJ | CAG | CAF | HAG | 13.1° | 175.0° |
| NAJ | CAG | CAF | HAF | 132.7° | 55.0° |
| CAP | CAN | NAQ | OAC | 134.7° | 90.2° |
| CAP | CAN | NAQ | OAA | 45.2° | 90.0° |
| NAI | CAP | CAN | NAQ | 0.1° | 0.1° |
| CAN | NAQ | OAC | OAA | 179.9° | 179.8° |
| HAE | CAE | CAL | CL1 | 0.8° | 0.2° |
| HAJ | NAJ | CAG | HAH | 14.3° | 120.0° |
| HAJ | NAJ | CAG | HAI | 105.4° | 120.0° |
| HAH | CAG | CAF | HAG | 107.1° | 65.0° |
| HAH | CAG | CAF | HAF | 12.6° | 175.0° |
| HAI | CAG | CAF | HAG | 133.3° | 55.0° |
| HAI | CAG | CAF | HAF | 107.1° | 65.0° |
| HAG | CAF | OAB | HAB | 59.8° | 60.0° |
| HAF | CAF | OAB | HAB | 59.8° | 60.0° |
