5NN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAN | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CAR | CAQ | doub | 1.38Å | 1.37Å | Aromatic |
| CAQ | CAP | sing | 1.38Å | 1.37Å | Aromatic |
| CAP | CAO | doub | 1.38Å | 1.38Å | Aromatic |
| CAO | CAL | sing | 1.40Å | 1.40Å | Aromatic |
| CAL | CAI | sing | 1.48Å | 1.40Å | |
| CAI | CAH | doub | 1.36Å | 1.40Å | |
| CAI | NAJ | sing | 1.37Å | 1.41Å | |
| CAH | CAE | sing | 1.42Å | 1.41Å | |
| CAE | CAD | sing | 1.41Å | 1.40Å | Aromatic |
| CAE | CAF | doub | 1.41Å | 1.40Å | Aromatic |
| CAD | NAM | sing | 1.39Å | 1.35Å | |
| CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | CAA | doub | 1.38Å | 1.40Å | Aromatic |
| CAA | CAF | sing | 1.40Å | 1.38Å | Aromatic |
| CAF | CAG | sing | 1.47Å | 1.42Å | |
| CAG | OAK | doub | 1.22Å | 1.25Å | |
| CAG | NAJ | sing | 1.35Å | 1.37Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAJ | HAJ | sing | 0.97Å | 1.00Å | |
| NAM | HAM1 | sing | 0.97Å | 1.00Å | |
| NAM | HAM2 | sing | 0.97Å | 1.00Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAR | CAN | CAL | 120.5° | 119.8° |
| CAN | CAR | CAQ | 122.0° | 120.1° |
| CAR | CAN | HAN | 119.7° | 120.1° |
| CAN | CAR | HAR | 119.0° | 119.9° |
| CAN | CAL | CAO | 116.5° | 119.7° |
| CAN | CAL | CAI | 123.7° | 120.1° |
| CAL | CAN | HAN | 119.7° | 120.1° |
| CAR | CAQ | CAP | 117.9° | 120.3° |
| CAQ | CAR | HAR | 119.0° | 119.9° |
| CAR | CAQ | HAQ | 121.1° | 119.8° |
| CAQ | CAP | CAO | 120.7° | 120.2° |
| CAP | CAQ | HAQ | 121.0° | 119.9° |
| CAQ | CAP | HAP | 119.7° | 119.9° |
| CAP | CAO | CAL | 122.0° | 119.9° |
| CAO | CAP | HAP | 119.6° | 119.9° |
| CAP | CAO | HAO | 119.0° | 120.1° |
| CAO | CAL | CAI | 118.8° | 120.2° |
| CAL | CAO | HAO | 119.0° | 120.0° |
| CAL | CAI | CAH | 122.8° | 118.9° |
| CAL | CAI | NAJ | 118.9° | 119.0° |
| CAH | CAI | NAJ | 117.9° | 122.1° |
| CAI | CAH | CAE | 121.5° | 120.0° |
| CAI | CAH | HAH | 119.2° | 120.0° |
| CAI | NAJ | CAG | 121.4° | 121.5° |
| CAI | NAJ | HAJ | 119.3° | 119.2° |
| CAH | CAE | CAD | 121.6° | 121.6° |
| CAH | CAE | CAF | 119.2° | 118.9° |
| CAE | CAH | HAH | 119.2° | 120.0° |
| CAD | CAE | CAF | 119.1° | 119.5° |
| CAE | CAD | NAM | 120.7° | 120.3° |
| CAE | CAD | CAC | 119.5° | 119.5° |
| CAE | CAF | CAA | 121.4° | 119.8° |
| CAE | CAF | CAG | 119.2° | 118.6° |
| NAM | CAD | CAC | 119.7° | 120.3° |
| CAD | NAM | HAM1 | 109.5° | 120.0° |
| CAD | NAM | HAM2 | 109.5° | 120.0° |
| CAD | CAC | CAB | 120.7° | 120.7° |
| CAD | CAC | HAC | 119.6° | 119.7° |
| CAC | CAB | CAA | 119.7° | 120.8° |
| CAB | CAC | HAC | 119.7° | 119.6° |
| CAC | CAB | HAB | 120.1° | 119.6° |
| CAB | CAA | CAF | 119.5° | 119.8° |
| CAA | CAB | HAB | 120.2° | 119.6° |
| CAB | CAA | HAA | 120.2° | 120.1° |
| CAA | CAF | CAG | 119.4° | 121.6° |
| CAF | CAA | HAA | 120.2° | 120.1° |
| CAF | CAG | OAK | 122.0° | 120.6° |
| CAF | CAG | NAJ | 120.7° | 118.9° |
| OAK | CAG | NAJ | 117.3° | 120.5° |
| CAG | NAJ | HAJ | 119.3° | 119.3° |
| HAM1 | NAM | HAM2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAR | CAN | CAL | HAN | 180.0° | 179.7° |
| CAN | CAR | CAQ | HAR | 180.0° | 179.9° |
| CAN | CAR | CAQ | CAP | 1.8° | 0.0° |
| CAR | CAN | CAL | CAO | 6.2° | 0.0° |
| CAR | CAN | CAL | CAI | 174.7° | 180.0° |
| CAN | CAR | CAQ | HAQ | 178.1° | 180.0° |
| CAL | CAN | CAR | CAQ | 2.2° | 0.0° |
| CAN | CAL | CAO | CAP | 6.5° | 0.0° |
| CAN | CAL | CAO | CAI | 169.0° | 180.0° |
| CAN | CAL | CAI | CAH | 14.1° | 180.0° |
| CAN | CAL | CAI | NAJ | 172.9° | 0.3° |
| CAL | CAN | CAR | HAR | 177.8° | 179.9° |
| CAN | CAL | CAO | HAO | 173.5° | 179.9° |
| CAR | CAQ | CAP | HAQ | 180.0° | 179.9° |
| CAR | CAQ | CAP | CAO | 1.6° | 0.0° |
| CAQ | CAR | CAN | HAN | 177.8° | 179.8° |
| CAR | CAQ | CAP | HAP | 178.4° | 180.0° |
| CAQ | CAP | CAO | HAP | 180.0° | 180.0° |
| CAQ | CAP | CAO | CAL | 2.7° | 0.0° |
| CAP | CAQ | CAR | HAR | 178.1° | 179.9° |
| CAQ | CAP | CAO | HAO | 177.3° | 179.9° |
| CAP | CAO | CAL | HAO | 180.0° | 180.0° |
| CAP | CAO | CAL | CAI | 175.6° | 180.0° |
| CAO | CAP | CAQ | HAQ | 178.4° | 180.0° |
| CAO | CAL | CAI | CAH | 154.1° | 0.0° |
| CAO | CAL | CAI | NAJ | 18.9° | 179.7° |
| CAO | CAL | CAN | HAN | 173.8° | 179.8° |
| CAL | CAO | CAP | HAP | 177.3° | 180.0° |
| CAL | CAI | CAH | NAJ | 173.1° | 179.7° |
| CAL | CAI | CAH | CAE | 174.7° | 180.0° |
| CAL | CAI | NAJ | CAG | 173.8° | 179.7° |
| CAI | CAL | CAN | HAN | 5.3° | 0.2° |
| CAI | CAL | CAO | HAO | 4.4° | 0.1° |
| CAL | CAI | CAH | HAH | 5.3° | 0.0° |
| CAL | CAI | NAJ | HAJ | 6.2° | 0.0° |
| CAI | CAH | CAE | HAH | 180.0° | 180.0° |
| CAI | CAH | CAE | CAD | 179.9° | 180.0° |
| CAI | CAH | CAE | CAF | 3.7° | 0.0° |
| CAH | CAI | NAJ | CAG | 0.4° | 0.6° |
| CAH | CAI | NAJ | HAJ | 179.6° | 179.7° |
| NAJ | CAI | CAH | CAE | 1.6° | 0.3° |
| CAI | NAJ | CAG | CAF | 1.3° | 0.6° |
| CAI | NAJ | CAG | OAK | 176.7° | 179.7° |
| CAI | NAJ | CAG | HAJ | 180.0° | 179.7° |
| NAJ | CAI | CAH | HAH | 178.4° | 179.7° |
| CAH | CAE | CAD | CAF | 176.2° | 180.0° |
| CAH | CAE | CAD | NAM | 5.4° | 0.0° |
| CAH | CAE | CAD | CAC | 178.4° | 180.0° |
| CAH | CAE | CAF | CAA | 177.5° | 180.0° |
| CAH | CAE | CAF | CAG | 4.4° | 0.0° |
| CAE | CAD | NAM | CAC | 176.2° | 180.0° |
| CAE | CAD | CAC | CAB | 3.0° | 0.0° |
| CAD | CAE | CAF | CAA | 1.2° | 0.0° |
| CAD | CAE | CAF | CAG | 179.3° | 180.0° |
| CAD | CAE | CAH | HAH | 0.1° | 0.0° |
| CAE | CAD | NAM | HAM1 | 180.0° | 0.0° |
| CAE | CAD | NAM | HAM2 | 60.0° | 180.0° |
| CAE | CAD | CAC | HAC | 177.0° | 180.0° |
| CAF | CAE | CAD | NAM | 178.3° | 180.0° |
| CAF | CAE | CAD | CAC | 2.1° | 0.0° |
| CAE | CAF | CAA | CAB | 1.0° | 0.0° |
| CAE | CAF | CAA | CAG | 178.1° | 180.0° |
| CAE | CAF | CAG | OAK | 174.5° | 180.0° |
| CAE | CAF | CAG | NAJ | 3.3° | 0.3° |
| CAF | CAE | CAH | HAH | 176.3° | 180.0° |
| CAE | CAF | CAA | HAA | 179.0° | 179.9° |
| NAM | CAD | CAC | CAB | 179.2° | 180.0° |
| CAD | NAM | HAM1 | HAM2 | 120.0° | 180.0° |
| NAM | CAD | CAC | HAC | 0.8° | 0.0° |
| CAD | CAC | CAB | HAC | 180.0° | 179.9° |
| CAD | CAC | CAB | CAA | 2.8° | 0.0° |
| CAC | CAD | NAM | HAM1 | 3.8° | 180.0° |
| CAC | CAD | NAM | HAM2 | 123.8° | 0.0° |
| CAD | CAC | CAB | HAB | 177.2° | 179.9° |
| CAC | CAB | CAA | HAB | 180.0° | 180.0° |
| CAC | CAB | CAA | CAF | 1.8° | 0.0° |
| CAC | CAB | CAA | HAA | 178.2° | 179.9° |
| CAB | CAA | CAF | HAA | 180.0° | 180.0° |
| CAB | CAA | CAF | CAG | 179.1° | 180.0° |
| CAA | CAB | CAC | HAC | 177.2° | 180.0° |
| CAA | CAF | CAG | OAK | 3.6° | 0.0° |
| CAA | CAF | CAG | NAJ | 178.6° | 179.7° |
| CAF | CAA | CAB | HAB | 178.2° | 179.9° |
| CAF | CAG | OAK | NAJ | 177.9° | 179.7° |
| CAF | CAG | NAJ | HAJ | 178.7° | 179.7° |
| CAG | CAF | CAA | HAA | 0.9° | 0.1° |
| OAK | CAG | NAJ | HAJ | 3.4° | 0.0° |
| HAN | CAN | CAR | HAR | 2.2° | 0.4° |
| HAR | CAR | CAQ | HAQ | 1.9° | 0.1° |
| HAQ | CAQ | CAP | HAP | 1.6° | 0.1° |
| HAP | CAP | CAO | HAO | 2.7° | 0.0° |
| HAC | CAC | CAB | HAB | 2.8° | 0.0° |
| HAB | CAB | CAA | HAA | 1.8° | 0.1° |
