18N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | CAO | doub | 1.41Å | 1.41Å | Aromatic |
| CAO | CAL | sing | 1.41Å | 1.41Å | Aromatic |
| CAO | CAN | sing | 1.41Å | 1.41Å | Aromatic |
| CAG | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAM | sing | 1.47Å | 1.42Å | |
| CAG | CAC | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAC | CAE | sing | 1.37Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAE | CAL | doub | 1.41Å | 1.40Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAL | CAF | sing | 1.41Å | 1.41Å | Aromatic |
| CAF | CAD | doub | 1.37Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAN | CAH | doub | 1.39Å | 1.41Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAK | CAN | sing | 1.47Å | 1.40Å | |
| NAI | CAK | sing | 1.35Å | 1.39Å | |
| CAK | OAB | doub | 1.22Å | 1.25Å | |
| CAJ | NAI | sing | 1.35Å | 1.37Å | |
| NAI | HNAI | sing | 0.97Å | 1.00Å | |
| OAA | CAJ | doub | 1.22Å | 1.24Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | CAO | CAL | 118.9° | 120.3° |
| CAM | CAO | CAN | 120.6° | 119.4° |
| CAO | CAM | CAG | 120.8° | 119.0° |
| CAO | CAM | CAJ | 118.3° | 118.7° |
| CAL | CAO | CAN | 120.4° | 120.3° |
| CAO | CAL | CAE | 119.4° | 118.9° |
| CAO | CAL | CAF | 118.9° | 118.9° |
| CAO | CAN | CAH | 119.8° | 119.0° |
| CAO | CAN | CAK | 120.1° | 118.7° |
| CAG | CAM | CAJ | 120.8° | 122.3° |
| CAM | CAG | CAC | 119.9° | 120.1° |
| CAM | CAG | HAG | 120.1° | 120.0° |
| CAM | CAJ | NAI | 119.7° | 120.4° |
| CAM | CAJ | OAA | 123.7° | 119.8° |
| CAC | CAG | HAG | 120.1° | 119.9° |
| CAG | CAC | CAE | 120.0° | 121.7° |
| CAG | CAC | HAC | 120.0° | 119.2° |
| CAE | CAC | HAC | 120.0° | 119.2° |
| CAC | CAE | CAL | 120.9° | 120.0° |
| CAC | CAE | HAE | 119.6° | 120.0° |
| CAL | CAE | HAE | 119.5° | 120.0° |
| CAE | CAL | CAF | 121.6° | 122.2° |
| CAL | CAF | CAD | 120.5° | 120.0° |
| CAL | CAF | HAF | 119.8° | 120.0° |
| CAD | CAF | HAF | 119.8° | 120.0° |
| CAF | CAD | CAH | 120.7° | 121.7° |
| CAF | CAD | HAD | 119.6° | 119.2° |
| CAH | CAD | HAD | 119.6° | 119.2° |
| CAD | CAH | CAN | 119.6° | 120.1° |
| CAD | CAH | HAH | 120.1° | 120.0° |
| CAN | CAH | HAH | 120.2° | 119.9° |
| CAH | CAN | CAK | 120.2° | 122.3° |
| CAN | CAK | NAI | 118.2° | 120.4° |
| CAN | CAK | OAB | 124.1° | 119.8° |
| NAI | CAK | OAB | 117.7° | 119.8° |
| CAK | NAI | CAJ | 122.9° | 122.4° |
| CAK | NAI | HNAI | 118.6° | 118.8° |
| CAJ | NAI | HNAI | 118.6° | 118.8° |
| NAI | CAJ | OAA | 116.6° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAM | CAO | CAL | CAN | 177.0° | 179.7° |
| CAO | CAM | CAG | CAJ | 177.2° | 180.0° |
| CAO | CAM | CAG | CAC | 0.8° | 0.0° |
| CAO | CAM | CAG | HAG | 179.3° | 180.0° |
| CAM | CAO | CAL | CAE | 2.9° | 0.1° |
| CAM | CAO | CAL | CAF | 179.2° | 179.8° |
| CAM | CAO | CAN | CAH | 178.7° | 179.8° |
| CAM | CAO | CAN | CAK | 2.7° | 0.2° |
| CAO | CAM | CAJ | NAI | 4.6° | 0.0° |
| CAO | CAM | CAJ | OAA | 175.8° | 180.0° |
| CAL | CAO | CAM | CAG | 1.5° | 0.1° |
| CAL | CAO | CAM | CAJ | 178.7° | 179.9° |
| CAO | CAL | CAE | CAC | 3.7° | 0.1° |
| CAO | CAL | CAE | CAF | 177.9° | 179.9° |
| CAO | CAL | CAE | HAE | 176.3° | 180.0° |
| CAO | CAL | CAF | CAD | 1.6° | 0.1° |
| CAO | CAL | CAF | HAF | 178.4° | 180.0° |
| CAL | CAO | CAN | CAH | 1.8° | 0.0° |
| CAL | CAO | CAN | CAK | 179.7° | 179.9° |
| CAN | CAO | CAM | CAG | 178.5° | 179.8° |
| CAN | CAO | CAM | CAJ | 4.3° | 0.2° |
| CAN | CAO | CAL | CAE | 179.9° | 179.9° |
| CAN | CAO | CAL | CAF | 2.1° | 0.0° |
| CAO | CAN | CAH | CAD | 0.8° | 0.0° |
| CAO | CAN | CAH | CAK | 178.5° | 179.9° |
| CAO | CAN | CAH | HAH | 179.2° | 180.0° |
| CAO | CAN | CAK | NAI | 1.4° | 0.1° |
| CAO | CAN | CAK | OAB | 178.8° | 180.0° |
| CAM | CAG | CAC | HAG | 180.0° | 180.0° |
| CAM | CAG | CAC | CAE | 1.5° | 0.0° |
| CAM | CAG | CAC | HAC | 178.5° | 179.9° |
| CAG | CAM | CAJ | NAI | 178.1° | 179.9° |
| CAG | CAM | CAJ | OAA | 1.5° | 0.0° |
| CAJ | CAM | CAG | CAC | 178.0° | 180.0° |
| CAJ | CAM | CAG | HAG | 2.1° | 0.0° |
| CAM | CAJ | NAI | CAK | 3.5° | 0.3° |
| CAM | CAJ | NAI | OAA | 179.7° | 180.0° |
| CAM | CAJ | NAI | HNAI | 176.5° | 180.0° |
| CAG | CAC | CAE | HAC | 180.0° | 179.9° |
| CAG | CAC | CAE | CAL | 3.0° | 0.0° |
| CAG | CAC | CAE | HAE | 177.0° | 180.0° |
| HAG | CAG | CAC | CAE | 178.5° | 180.0° |
| HAG | CAG | CAC | HAC | 1.5° | 0.1° |
| CAC | CAE | CAL | HAE | 180.0° | 180.0° |
| CAC | CAE | CAL | CAF | 178.4° | 179.8° |
| HAC | CAC | CAE | CAL | 177.0° | 179.9° |
| HAC | CAC | CAE | HAE | 3.0° | 0.1° |
| CAE | CAL | CAF | CAD | 179.5° | 179.9° |
| CAE | CAL | CAF | HAF | 0.5° | 0.1° |
| HAE | CAE | CAL | CAF | 1.6° | 0.1° |
| CAL | CAF | CAD | HAF | 180.0° | 179.9° |
| CAL | CAF | CAD | CAH | 0.7° | 0.1° |
| CAL | CAF | CAD | HAD | 179.3° | 180.0° |
| CAF | CAD | CAH | HAD | 180.0° | 179.9° |
| CAF | CAD | CAH | CAN | 0.3° | 0.1° |
| CAF | CAD | CAH | HAH | 179.7° | 180.0° |
| HAF | CAF | CAD | CAH | 179.3° | 180.0° |
| HAF | CAF | CAD | HAD | 0.7° | 0.1° |
| CAD | CAH | CAN | HAH | 180.0° | 179.9° |
| CAD | CAH | CAN | CAK | 179.4° | 179.9° |
| HAD | CAD | CAH | CAN | 179.7° | 180.0° |
| HAD | CAD | CAH | HAH | 0.3° | 0.1° |
| CAH | CAN | CAK | NAI | 179.9° | 180.0° |
| CAH | CAN | CAK | OAB | 0.3° | 0.1° |
| HAH | CAH | CAN | CAK | 0.6° | 0.0° |
| CAN | CAK | NAI | OAB | 179.8° | 179.9° |
| CAN | CAK | NAI | CAJ | 1.9° | 0.4° |
| CAN | CAK | NAI | HNAI | 178.2° | 180.0° |
| CAK | NAI | CAJ | HNAI | 180.0° | 179.7° |
| CAK | NAI | CAJ | OAA | 176.8° | 179.7° |
| OAB | CAK | NAI | CAJ | 178.3° | 179.8° |
| OAB | CAK | NAI | HNAI | 1.6° | 0.1° |
| HNAI | NAI | CAJ | OAA | 3.1° | 0.0° |
